2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline

C15H21Cl2N — CID 113445787

IUPAC2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline
SMILESCc1cc(Cl)c(NC2CC(C)CCC2C)cc1Cl
InChIInChI=1S/C15H21Cl2N/c1-9-4-5-10(2)14(6-9)18-15-8-12(16)11(3)7-13(15)17/h7-10,14,18H,4-6H2,1-3H3
InChIKeyKBYXZPPSFHLFSC-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.54
Rot. Bonds2

About 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline

2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline (PubChem CID 113445787) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline
PubChem CID113445787
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline
SMILESCc1cc(Cl)c(NC2CC(C)CCC2C)cc1Cl
InChIInChI=1S/C15H21Cl2N/c1-9-4-5-10(2)14(6-9)18-15-8-12(16)11(3)7-13(15)17/h7-10,14,18H,4-6H2,1-3H3
InChIKeyKBYXZPPSFHLFSC-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-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

2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(2,5-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 64762714
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
CID 107582382

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline (CID 113445787) is 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline is Cc1cc(Cl)c(NC2CC(C)CCC2C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline?
The InChIKey is KBYXZPPSFHLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-9-4-5-10(2)14(6-9)18-15-8-12(16)11(3)7-13(15)17/h7-10,14,18H,4-6H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline?
2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline has a molecular weight of 286.25 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 113445787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).