N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine

C15H16ClN — CID 81324019

IUPACN-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1cc(Cl)cc(CNCc2ccccc2)c1
InChIInChI=1S/C15H16ClN/c1-12-7-14(9-15(16)8-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyWAQLWNXJHZDRKX-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.94
Rot. Bonds4

About N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine

N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine (PubChem CID 81324019) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
PubChem CID81324019
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1cc(Cl)cc(CNCc2ccccc2)c1
InChIInChI=1S/C15H16ClN/c1-12-7-14(9-15(16)8-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyWAQLWNXJHZDRKX-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine 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-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
CID 143782368
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
1,3-dichloro-5-methylbenzene;toluene
CID 143933195
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine (CID 81324019) is N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine is Cc1cc(Cl)cc(CNCc2ccccc2)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is WAQLWNXJHZDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-7-14(9-15(16)8-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine?
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 245.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 81324019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).