3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline

C15H19ClF3N — CID 116699074

IUPAC3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
SMILESCC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyMUECAPASMCYMAE-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.60
Rot. Bonds3

About 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline

3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 116699074) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID116699074
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
SMILESCC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyMUECAPASMCYMAE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)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

3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline
CID 116698784
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylcycloheptan-1-amine
CID 116698915
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
3-chloro-N-[2-(3-methoxypropoxy)ethyl]-5-(trifluoromethyl)aniline
CID 103179547
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
CID 116699196
N-[(4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 70919588
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
CID 116699040
6-N-[(3-methylcyclopentyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107415860

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline (CID 116699074) is 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline is CC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is MUECAPASMCYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3.
What are the key properties of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 305.77 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).