2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline

C15H17ClN2 — CID 62493495

IUPAC2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(Cl)cc1CN
InChIInChI=1S/C15H17ClN2/c1-11-5-3-4-6-14(11)18(2)15-8-7-13(16)9-12(15)10-17/h3-9H,10,17H2,1-2H3
InChIKeyCDYROHRYTUDMDR-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.88
Rot. Bonds3

About 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline

2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline (PubChem CID 62493495) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
PubChem CID62493495
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(Cl)cc1CN
InChIInChI=1S/C15H17ClN2/c1-11-5-3-4-6-14(11)18(2)15-8-7-13(16)9-12(15)10-17/h3-9H,10,17H2,1-2H3
InChIKeyCDYROHRYTUDMDR-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline 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

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline (CID 62493495) is 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1ccc(Cl)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline?
The InChIKey is CDYROHRYTUDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-5-3-4-6-14(11)18(2)15-8-7-13(16)9-12(15)10-17/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline?
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline has a molecular weight of 260.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 62493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).