[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C13H19ClN2 — CID 117349921

IUPAC[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-9-3-4-11(12(14)5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3
InChIKeyIAAONRZDIGZLKF-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.60
Rot. Bonds2

About [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117349921) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117349921
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-9-3-4-11(12(14)5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3
InChIKeyIAAONRZDIGZLKF-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]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

[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094
[5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454617
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[5-(5-chloro-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406206
[5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481351
[5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117198
[1-methyl-5-(2-methyl-4-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379930
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
CID 117322190
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
[5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487608

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117349921) is [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is Cc1ccc(C2CC(CN)CN2C)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is IAAONRZDIGZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-3-4-11(12(14)5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3.
What are the key properties of [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117349921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).