2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

C14H17F4N — CID 115847288

IUPAC2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9,13H,1-4,7,19H2
InChIKeyAEKPDZQIOFLPJV-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.42
Rot. Bonds3

About 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115847288) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID115847288
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9,13H,1-4,7,19H2
InChIKeyAEKPDZQIOFLPJV-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (CID 115847288) is 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is NC(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AEKPDZQIOFLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9,13H,1-4,7,19H2.
What are the key properties of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 275.29 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115847288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).