[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone

C15H18F3NO — CID 116584636

IUPAC[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1CCCCC1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-6-3-5-10(8-12)14(20)13-7-2-1-4-11(13)9-19/h3,5-6,8,11,13H,1-2,4,7,9,19H2
InChIKeyZGFHGGDJNOHBRX-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.65
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone

[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 116584636) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID116584636
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1CCCCC1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-6-3-5-10(8-12)14(20)13-7-2-1-4-11(13)9-19/h3,5-6,8,11,13H,1-2,4,7,9,19H2
InChIKeyZGFHGGDJNOHBRX-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone 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-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
CID 116584431
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
(2-ethylcyclohexyl) 3-(trifluoromethyl)benzoate
CID 599330
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120743867
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
9-azabicyclo[3.3.1]nonan-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 171941494
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine
CID 106585544

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone (CID 116584636) is [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone is NCC1CCCCC1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZGFHGGDJNOHBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)12-6-3-5-10(8-12)14(20)13-7-2-1-4-11(13)9-19/h3,5-6,8,11,13H,1-2,4,7,9,19H2.
What are the key properties of [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 285.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116584636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).