[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine

C13H16F3N — CID 43119071

IUPAC[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7,9,17H2
InChIKeyVZMRAPSRBGTZOB-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.48
Rot. Bonds2

About [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine

[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine (PubChem CID 43119071) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine
PubChem CID43119071
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7,9,17H2
InChIKeyVZMRAPSRBGTZOB-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine (CID 43119071) is [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine is NCC1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is VZMRAPSRBGTZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7,9,17H2.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 43119071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).