N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

C17H22F3N — CID 43096041

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCC1=CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N/c1-13(21-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)17(18,19)20/h5-7,9-10,13,21H,2-4,8,11-12H2,1H3
InChIKeyOHKPZRALIBCVKK-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.25
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43096041) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID43096041
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCC1=CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N/c1-13(21-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)17(18,19)20/h5-7,9-10,13,21H,2-4,8,11-12H2,1H3
InChIKeyOHKPZRALIBCVKK-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781439
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 43096041) is N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(NCCC1=CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is OHKPZRALIBCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c1-13(21-12-11-14-7-3-2-4-8-14)15-9-5-6-10-16(15)17(18,19)20/h5-7,9-10,13,21H,2-4,8,11-12H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 297.36 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).