2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine

C16H24FN — CID 81364942

IUPAC2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCCC1N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C16H24FN/c1-3-13-7-4-5-10-16(13)18-12(2)14-8-6-9-15(17)11-14/h6,8-9,11-13,16,18H,3-5,7,10H2,1-2H3/t12-,13?,16?/m0/s1
InChIKeyDXVLFMKHWOEZIF-FUJMWEONSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds4

About 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine

2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 81364942) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
PubChem CID81364942
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCCC1N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C16H24FN/c1-3-13-7-4-5-10-16(13)18-12(2)14-8-6-9-15(17)11-14/h6,8-9,11-13,16,18H,3-5,7,10H2,1-2H3/t12-,13?,16?/m0/s1
InChIKeyDXVLFMKHWOEZIF-FUJMWEONSA-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

2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine (CID 81364942) is 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine is CCC1CCCCC1N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is DXVLFMKHWOEZIF-FUJMWEONSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-13-7-4-5-10-16(13)18-12(2)14-8-6-9-15(17)11-14/h6,8-9,11-13,16,18H,3-5,7,10H2,1-2H3/t12-,13?,16?/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine?
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine 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 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81364942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).