2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol

C13H16F3NO — CID 60713459

IUPAC2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-17-11-5-2-6-12(11)18/h1,3-4,7,11-12,17-18H,2,5-6,8H2
InChIKeyNGDVPKNJPMVSHP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.71
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol

2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol (PubChem CID 60713459) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
PubChem CID60713459
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-17-11-5-2-6-12(11)18/h1,3-4,7,11-12,17-18H,2,5-6,8H2
InChIKeyNGDVPKNJPMVSHP-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol 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 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol (CID 60713459) is 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol is OC1CCCC1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol?
The InChIKey is NGDVPKNJPMVSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-17-11-5-2-6-12(11)18/h1,3-4,7,11-12,17-18H,2,5-6,8H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol?
2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol has a molecular weight of 259.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 60713459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).