Cas no 501700-05-6 (Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)-)
Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)-, is a substituted phenethylamine derivative characterized by its distinct methoxy and isobutoxy functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its structural features, which may influence receptor binding or metabolic stability. The presence of electron-donating methoxy groups at the 3- and 5-positions, combined with the 2-methylpropoxy substituent at the 4-position, enhances its lipophilicity and potential for targeted modifications. Its well-defined molecular architecture makes it a valuable intermediate for exploring structure-activity relationships in medicinal chemistry. The compound is typically handled under controlled conditions due to its reactive amine functionality.
501700-05-6 structure
Product Name:Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)-
CAS No:501700-05-6
MF:C14H23NO3
MW:253.337324380875
CID:1561768
PubChem ID:57478628
Update Time:2025-06-09
Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)-
- 4-Isobutoxy-3,5-dimethoxyphenethylamine
- EN300-6730385
- 501700-05-6
- 2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethanamine
- 2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine
-
- Inchi： 1S/C14H23NO3/c1-10(2)9-18-14-12(16-3)7-11(5-6-15)8-13(14)17-4/h7-8,10H,5-6,9,15H2,1-4H3
- InChI Key： KNAFUDQAABKKDG-UHFFFAOYSA-N
- SMILES： O(C1C(=CC(=CC=1OC)CCN)OC)CC(C)C
Computed Properties
- Exact Mass: 253.16789
- Monoisotopic Mass: 253.16779360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 53.7?2
Experimental Properties
- PSA: 53.71
Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6730385-0.05g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 0.05g |
$162.0 | 2023-05-31 | |
| Enamine | EN300-6730385-0.1g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 0.1g |
$241.0 | 2023-05-31 | |
| Enamine | EN300-6730385-0.25g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 0.25g |
$347.0 | 2023-05-31 | |
| Enamine | EN300-6730385-0.5g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 0.5g |
$546.0 | 2023-05-31 | |
| Enamine | EN300-6730385-1.0g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 1g |
$699.0 | 2023-05-31 | |
| Enamine | EN300-6730385-2.5g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 2.5g |
$1370.0 | 2023-05-31 | |
| Enamine | EN300-6730385-5.0g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 5g |
$2028.0 | 2023-05-31 | |
| Enamine | EN300-6730385-10.0g |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 10g |
$3007.0 | 2023-05-31 | |
| 1PlusChem | 1P028NUI-50mg |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 50mg |
$255.00 | 2024-05-01 | |
| 1PlusChem | 1P028NUI-100mg |
2-[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine |
501700-05-6 | 95% | 100mg |
$350.00 | 2024-05-01 |
Benzeneethanamine, 3,5-dimethoxy-4-(2-methylpropoxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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