N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline

C17H19ClN2 — CID 60943058

IUPACN-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESClc1ccc(CNc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)13-19-16-4-3-5-17(12-16)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2
InChIKeyGPSARWUFCHGOJH-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.55
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline

N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline (PubChem CID 60943058) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
PubChem CID60943058
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESClc1ccc(CNc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)13-19-16-4-3-5-17(12-16)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2
InChIKeyGPSARWUFCHGOJH-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
2-bromo-4-[(3-pyrrolidin-1-ylanilino)methyl]phenol
CID 63047265
N-[(4-bromo-3-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 66472010
3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43762165
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 103818774
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
CID 107678054
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline (CID 60943058) is N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline is Clc1ccc(CNc2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is GPSARWUFCHGOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)13-19-16-4-3-5-17(12-16)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline?
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 286.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60943058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).