2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline

C19H24N2 — CID 11437461

IUPAC2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(Cc2ccccc2NCCN2CCCC2)cc1
InChIInChI=1S/C19H24N2/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)20-12-15-21-13-6-7-14-21/h1-5,8-11,20H,6-7,12-16H2
InChIKeyKMSBBZPJDRRRGH-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.79
Rot. Bonds6

About 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline

2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 11437461) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID11437461
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(Cc2ccccc2NCCN2CCCC2)cc1
InChIInChI=1S/C19H24N2/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)20-12-15-21-13-6-7-14-21/h1-5,8-11,20H,6-7,12-16H2
InChIKeyKMSBBZPJDRRRGH-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
CID 74244259
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 60658869
2-benzyl-N-(3-methylsulfanylpropyl)aniline
CID 28534154
4-(2-benzylanilino)butanenitrile
CID 28578029
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 11437461) is 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline is c1ccc(Cc2ccccc2NCCN2CCCC2)cc1.
What is the InChIKey of 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is KMSBBZPJDRRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)20-12-15-21-13-6-7-14-21/h1-5,8-11,20H,6-7,12-16H2.
What are the key properties of 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline?
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 280.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 11437461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).