1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C14H19F3N2 — CID 106738164

IUPAC1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-7-3-4-8-12(11)19-13(9-18)10-5-1-2-6-10/h3-4,7-8,10,13,19H,1-2,5-6,9,18H2
InChIKeyPNZNPAWMCYUZHI-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.63
Rot. Bonds4

About 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 106738164) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID106738164
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-7-3-4-8-12(11)19-13(9-18)10-5-1-2-6-10/h3-4,7-8,10,13,19H,1-2,5-6,9,18H2
InChIKeyPNZNPAWMCYUZHI-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine 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

N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 106738164) is 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(Nc1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is PNZNPAWMCYUZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)11-7-3-4-8-12(11)19-13(9-18)10-5-1-2-6-10/h3-4,7-8,10,13,19H,1-2,5-6,9,18H2.
What are the key properties of 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 272.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 106738164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).