Cas no 19133-99-4 (3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole)
19133-99-4 structure
Product Name:3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole
CAS No:19133-99-4
MF:C20H22N2
MW:290.402084827423
CID:1384916
PubChem ID:29437
Update Time:2025-04-20
3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole
- 1H-indole, 7-methyl-3-[1-(phenylmethyl)-2-pyrrolidinyl]-
- 3-(1-Benzyl-2-pyrrolidinyl)-7-methylindole
- 19133-99-4
- BRN 0546110
- INDOLE, 3-(1-BENZYL-2-PYRROLIDINYL)-7-METHYL-
- DTXSID60940731
-
- Inchi： 1S/C20H22N2/c1-15-7-5-10-17-18(13-21-20(15)17)19-11-6-12-22(19)14-16-8-3-2-4-9-16/h2-5,7-10,13,19,21H,6,11-12,14H2,1H3
- InChI Key： BDFDPVIJXDROQT-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCCC1C1=CNC2C(C)=CC=CC1=2
Computed Properties
- Exact Mass: 289.17063
- Monoisotopic Mass: 290.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 19?2
Experimental Properties
- PSA: 16.13
3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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