1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine

C15H22FNS — CID 60887037

IUPAC1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1SC1CCCCC1
InChIInChI=1S/C15H22FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h6,9-12,17H,3-5,7-8H2,1-2H3
InChIKeyVRBXRDUCEUNAEQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.53
Rot. Bonds4

About 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine

1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine (PubChem CID 60887037) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
PubChem CID60887037
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1SC1CCCCC1
InChIInChI=1S/C15H22FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h6,9-12,17H,3-5,7-8H2,1-2H3
InChIKeyVRBXRDUCEUNAEQ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324
1-cyclopropylsulfanyl-3-fluoro-2-propan-2-ylbenzene
CID 164811441
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569240
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286290
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533
1-[2-fluoro-6-(3-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 43285864
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine (CID 60887037) is 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine is CNC(C)c1c(F)cccc1SC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The InChIKey is VRBXRDUCEUNAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h6,9-12,17H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine?
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine has a molecular weight of 267.41 g/mol, XLogP of 4.53, 4 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)-N-methylethanamine is sourced from PubChem (CID 60887037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).