N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine

C17H22F3N — CID 43747481

IUPACN-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NC2CC(c3ccccc3)C2)C1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-7-4-8-15(11-14)21-16-9-13(10-16)12-5-2-1-3-6-12/h1-3,5-6,13-16,21H,4,7-11H2
InChIKeyYPGHTZZPRCZKAO-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.64
Rot. Bonds3

About N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747481) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747481
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NC2CC(c3ccccc3)C2)C1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-7-4-8-15(11-14)21-16-9-13(10-16)12-5-2-1-3-6-12/h1-3,5-6,13-16,21H,4,7-11H2
InChIKeyYPGHTZZPRCZKAO-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-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

trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
CID 155454677
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-[3-(4-fluorophenyl)cyclobutyl]cyclopentanamine
CID 43632694
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55774524
2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747481) is N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NC2CC(c3ccccc3)C2)C1.
What is the InChIKey of N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YPGHTZZPRCZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)14-7-4-8-15(11-14)21-16-9-13(10-16)12-5-2-1-3-6-12/h1-3,5-6,13-16,21H,4,7-11H2.
What are the key properties of N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).