2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline

C13H17ClFN — CID 107527174

IUPAC2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c1-9-4-2-3-5-12(9)16-13-8-10(15)6-7-11(13)14/h6-9,12,16H,2-5H2,1H3
InChIKeyWIJYNXBTQWSKIP-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline

2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline (PubChem CID 107527174) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
PubChem CID107527174
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c1-9-4-2-3-5-12(9)16-13-8-10(15)6-7-11(13)14/h6-9,12,16H,2-5H2,1H3
InChIKeyWIJYNXBTQWSKIP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-5-fluoro-N-(2-methylcyclohexyl)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

trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
1-(2-chloro-4-fluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669085
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
N-[4-chloro-3-[(2-methylcyclopentyl)amino]phenyl]propanamide
CID 65044068
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
1-(2,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8668974
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline (CID 107527174) is 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline is CC1CCCCC1Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline?
The InChIKey is WIJYNXBTQWSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-4-2-3-5-12(9)16-13-8-10(15)6-7-11(13)14/h6-9,12,16H,2-5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline?
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 107527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).