Cas no 634187-56-7 (Benzenamine, 2-methoxy-5-(1-methyl-1-phenylethyl)-)
634187-56-7 structure
Product Name:Benzenamine, 2-methoxy-5-(1-methyl-1-phenylethyl)-
CAS No:634187-56-7
MF:C16H19NO
MW:241.328164339066
CID:1651192
PubChem ID:2757945
Update Time:2025-04-21
Benzenamine, 2-methoxy-5-(1-methyl-1-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-methoxy-5-(1-methyl-1-phenylethyl)-
- SCHEMBL632681
- DA-04154
- 634187-56-7
-
- Inchi： 1S/C16H19NO/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13/h4-11H,17H2,1-3H3
- InChI Key： LDKDRXIFLQFRDY-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1N)C(C)(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 241.14677
- Monoisotopic Mass: 241.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 258
- 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: 4.2
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
Benzenamine, 2-methoxy-5-(1-methyl-1-phenylethyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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