1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine

C14H20FNS — CID 60886597

IUPAC1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1SC1CCCCC1
InChIInChI=1S/C14H20FNS/c1-10(16)14-12(15)8-5-9-13(14)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7,16H2,1H3
InChIKeyFSDJDCTYQOHVGI-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.27
Rot. Bonds3

About 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine

1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine (PubChem CID 60886597) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
PubChem CID60886597
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1SC1CCCCC1
InChIInChI=1S/C14H20FNS/c1-10(16)14-12(15)8-5-9-13(14)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7,16H2,1H3
InChIKeyFSDJDCTYQOHVGI-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
CID 60887037
1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene
CID 164811441
(1S)-1-[2-fluoro-6-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750531
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine (CID 60886597) is 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine is CC(N)c1c(F)cccc1SC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine?
The InChIKey is FSDJDCTYQOHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-10(16)14-12(15)8-5-9-13(14)17-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7,16H2,1H3.
What are the key properties of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine?
1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine is sourced from PubChem (CID 60886597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).