1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine

C15H21F2NS — CID 107525018

IUPAC1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCC1CCCC(SCC(N)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NS/c1-10-3-2-4-12(7-10)19-9-15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3
InChIKeyXHSFRCDJJDXBHD-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.28
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine

1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine (PubChem CID 107525018) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
PubChem CID107525018
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCC1CCCC(SCC(N)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NS/c1-10-3-2-4-12(7-10)19-9-15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3
InChIKeyXHSFRCDJJDXBHD-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632422
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
CID 62722458
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
CID 55111836

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine (CID 107525018) is 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine is CC1CCCC(SCC(N)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine?
The InChIKey is XHSFRCDJJDXBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-10-3-2-4-12(7-10)19-9-15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine?
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine has a molecular weight of 285.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine is sourced from PubChem (CID 107525018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).