3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline

C15H22ClNO — CID 64774712

IUPAC3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
SMILESCOc1ccc(NC2CCCC(C)C2C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-5-4-6-14(11(10)2)17-12-7-8-15(18-3)13(16)9-12/h7-11,14,17H,4-6H2,1-3H3
InChIKeyKKGXCWYSMLAWEE-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.59
Rot. Bonds3

About 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline

3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline (PubChem CID 64774712) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
PubChem CID64774712
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
SMILESCOc1ccc(NC2CCCC(C)C2C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-5-4-6-14(11(10)2)17-12-7-8-15(18-3)13(16)9-12/h7-11,14,17H,4-6H2,1-3H3
InChIKeyKKGXCWYSMLAWEE-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline 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-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline?
The IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline (CID 64774712) is 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline is COc1ccc(NC2CCCC(C)C2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline?
The InChIKey is KKGXCWYSMLAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-5-4-6-14(11(10)2)17-12-7-8-15(18-3)13(16)9-12/h7-11,14,17H,4-6H2,1-3H3.
What are the key properties of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline?
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline has a molecular weight of 267.80 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline is sourced from PubChem (CID 64774712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).