2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine

C17H24F3N — CID 102755798

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-3-10-21-16-7-5-4-6-15(16)14-9-8-13(11-12(14)2)17(18,19)20/h8-9,11,15-16,21H,3-7,10H2,1-2H3
InChIKeyPTRZQPGFLFKSRN-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.04
Rot. Bonds4

About 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine

2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine (PubChem CID 102755798) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
PubChem CID102755798
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-3-10-21-16-7-5-4-6-15(16)14-9-8-13(11-12(14)2)17(18,19)20/h8-9,11,15-16,21H,3-7,10H2,1-2H3
InChIKeyPTRZQPGFLFKSRN-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-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-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 64990219
N-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708824
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 102756353
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 10358996

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine (CID 102755798) is 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine?
The InChIKey is PTRZQPGFLFKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-10-21-16-7-5-4-6-15(16)14-9-8-13(11-12(14)2)17(18,19)20/h8-9,11,15-16,21H,3-7,10H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine?
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 102755798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).