N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline

C16H18ClN — CID 114075335

IUPACN-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyHTLDJBJSDPMXQE-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.88
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline

N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline (PubChem CID 114075335) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
PubChem CID114075335
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)9-12(14)2/h4-9,18H,10H2,1-3H3
InChIKeyHTLDJBJSDPMXQE-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline 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-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline (CID 114075335) is N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is HTLDJBJSDPMXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)9-12(14)2/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline?
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 259.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 114075335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).