2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline

C13H17ClFN — CID 29080154

IUPAC2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyBNRSJDKVYDPVES-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline

2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline (PubChem CID 29080154) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline
PubChem CID29080154
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyBNRSJDKVYDPVES-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-4-fluoro-N-(4-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

N-benzyl-4-chloroaniline
CID 76281
(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
N-Alpha-(4-chlorophenyl)-N4,N4-dimethyltoluene-alpha,4-diamine
CID 292416
N-[(4-chlorophenyl)methyl]aniline
CID 10632581
N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
CID 834546
(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
CID 834562
4-Chloro-N-(2-fluorobenzyl)aniline
CID 834588
4-[(4-chloroanilino)methyl]-N,N-diethylaniline
CID 834671
2-chloro-4-fluoro-N-(propan-2-yl)aniline
CID 33788911
N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 18778388
N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799
N-butyl-3-chloro-4-fluoroaniline
CID 28877010

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline (CID 29080154) is 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline is CC1CCC(Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline?
The InChIKey is BNRSJDKVYDPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14/h4,7-9,11,16H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(4-methylcyclohexyl)aniline?
2-chloro-4-fluoro-N-(4-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-4-fluoro-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 29080154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).