N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline

C17H20ClN — CID 106816595

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2ccc(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-11-7-13(3)17(14(4)8-11)19-10-15-6-5-12(2)16(18)9-15/h5-9,19H,10H2,1-4H3
InChIKeyAHYUCOCLNPLIRE-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.19
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline

N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 106816595) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID106816595
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2ccc(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-11-7-13(3)17(14(4)8-11)19-10-15-6-5-12(2)16(18)9-15/h5-9,19H,10H2,1-4H3
InChIKeyAHYUCOCLNPLIRE-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 N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline 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-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline (CID 106816595) is N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2ccc(C)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is AHYUCOCLNPLIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-7-13(3)17(14(4)8-11)19-10-15-6-5-12(2)16(18)9-15/h5-9,19H,10H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline?
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline 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 N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 106816595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).