3-chloro-N-[(2-methylphenyl)methyl]aniline

C14H14ClN — CID 28513469

IUPAC3-chloro-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-9,16H,10H2,1H3
InChIKeyICBXDWFTNPMTOW-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.26
Rot. Bonds3

About 3-chloro-N-[(2-methylphenyl)methyl]aniline

3-chloro-N-[(2-methylphenyl)methyl]aniline (PubChem CID 28513469) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-methylphenyl)methyl]aniline
PubChem CID28513469
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name3-chloro-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-9,16H,10H2,1H3
InChIKeyICBXDWFTNPMTOW-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[(2-methylphenyl)methyl]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

3-[(2-methylphenyl)methylamino]phenol
CID 28722272
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
CID 55198820
2-[(3-chloroanilino)methyl]benzonitrile
CID 28580577
methyl 2-[2-[(3-chloroanilino)methyl]phenyl]acetate
CID 115461452
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(2-methylphenyl)methyl]aniline (CID 28513469) is 3-chloro-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is ICBXDWFTNPMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-9,16H,10H2,1H3.
What are the key properties of 3-chloro-N-[(2-methylphenyl)methyl]aniline?
3-chloro-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 231.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 28513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).