1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine

C18H21ClN2 — CID 60657557

IUPAC1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESClc1cccc(CNCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C18H21ClN2/c19-17-8-5-6-15(12-17)13-20-14-16-7-1-2-9-18(16)21-10-3-4-11-21/h1-2,5-9,12,20H,3-4,10-11,13-14H2
InChIKeyMDUKDNLZWHQVEV-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.23
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine

1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine (PubChem CID 60657557) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
PubChem CID60657557
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESClc1cccc(CNCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C18H21ClN2/c19-17-8-5-6-15(12-17)13-20-14-16-7-1-2-9-18(16)21-10-3-4-11-21/h1-2,5-9,12,20H,3-4,10-11,13-14H2
InChIKeyMDUKDNLZWHQVEV-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N-[(3-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155566844
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 106834182

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine (CID 60657557) is 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine is Clc1cccc(CNCc2ccccc2N2CCCC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
The InChIKey is MDUKDNLZWHQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-8-5-6-15(12-17)13-20-14-16-7-1-2-9-18(16)21-10-3-4-11-21/h1-2,5-9,12,20H,3-4,10-11,13-14H2.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine has a molecular weight of 300.83 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 60657557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).