1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine

C16H24FN — CID 81348448

IUPAC1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h8-14,18H,3-7H2,1-2H3/t12?,13-/m0/s1
InChIKeyHLDYKCPTUMIGPS-ABLWVSNPSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds4

About 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine

1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine (PubChem CID 81348448) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
PubChem CID81348448
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h8-14,18H,3-7H2,1-2H3/t12?,13-/m0/s1
InChIKeyHLDYKCPTUMIGPS-ABLWVSNPSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
(1S)-1-cycloheptyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83120103
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine (CID 81348448) is 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine?
The InChIKey is HLDYKCPTUMIGPS-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h8-14,18H,3-7H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine?
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81348448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).