N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C16H22F3N — CID 63450355

IUPACN-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-12(20-10-9-13-5-2-3-6-13)14-7-4-8-15(11-14)16(17,18)19/h4,7-8,11-13,20H,2-3,5-6,9-10H2,1H3
InChIKeyBGNNRQGNJVMMQS-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.94
Rot. Bonds5

About N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63450355) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID63450355
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-12(20-10-9-13-5-2-3-6-13)14-7-4-8-15(11-14)16(17,18)19/h4,7-8,11-13,20H,2-3,5-6,9-10H2,1H3
InChIKeyBGNNRQGNJVMMQS-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
N-(thiolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80584198
N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine
CID 97323333
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 63450355) is N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCCC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BGNNRQGNJVMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12(20-10-9-13-5-2-3-6-13)14-7-4-8-15(11-14)16(17,18)19/h4,7-8,11-13,20H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63450355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).