2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline

C16H18ClN — CID 66253245

IUPAC2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
SMILESCc1cc(C)cc(CNc2c(C)cccc2Cl)c1
InChIInChI=1S/C16H18ClN/c1-11-7-12(2)9-14(8-11)10-18-16-13(3)5-4-6-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyJEPUELJQDOSULH-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.88
Rot. Bonds3

About 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline

2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline (PubChem CID 66253245) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
PubChem CID66253245
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
SMILESCc1cc(C)cc(CNc2c(C)cccc2Cl)c1
InChIInChI=1S/C16H18ClN/c1-11-7-12(2)9-14(8-11)10-18-16-13(3)5-4-6-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyJEPUELJQDOSULH-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 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline 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

2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-methylaniline
CID 66251869
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6-methylaniline
CID 66251501
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
CID 66252251
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline
CID 66252439
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline (CID 66253245) is 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline is Cc1cc(C)cc(CNc2c(C)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline?
The InChIKey is JEPUELJQDOSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-7-12(2)9-14(8-11)10-18-16-13(3)5-4-6-15(16)17/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline?
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline 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 2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline is sourced from PubChem (CID 66253245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).