4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

C17H20ClN — CID 43766570

IUPAC4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H20ClN/c1-11-7-13(3)15(8-12(11)2)10-19-17-6-5-16(18)9-14(17)4/h5-9,19H,10H2,1-4H3
InChIKeyYREVSNUPCPMNAN-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.19
Rot. Bonds3

About 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43766570) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43766570
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H20ClN/c1-11-7-13(3)15(8-12(11)2)10-19-17-6-5-16(18)9-14(17)4/h5-9,19H,10H2,1-4H3
InChIKeyYREVSNUPCPMNAN-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)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

N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43766570) is 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2ccc(Cl)cc2C)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is YREVSNUPCPMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-7-13(3)15(8-12(11)2)10-19-17-6-5-16(18)9-14(17)4/h5-9,19H,10H2,1-4H3.
What are the key properties of 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 273.81 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43766570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).