2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine

C14H17F4N — CID 107290013

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H17F4N/c1-19-13-5-3-2-4-10(13)9-6-7-11(12(15)8-9)14(16,17)18/h6-8,10,13,19H,2-5H2,1H3
InChIKeyDJKYWROZBXJZIK-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.09
Rot. Bonds2

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine (PubChem CID 107290013) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
PubChem CID107290013
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H17F4N/c1-19-13-5-3-2-4-10(13)9-6-7-11(12(15)8-9)14(16,17)18/h6-8,10,13,19H,2-5H2,1H3
InChIKeyDJKYWROZBXJZIK-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine 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-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 113338650
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
CID 107290266
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine (CID 107290013) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine?
The InChIKey is DJKYWROZBXJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-19-13-5-3-2-4-10(13)9-6-7-11(12(15)8-9)14(16,17)18/h6-8,10,13,19H,2-5H2,1H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 107290013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).