1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

C17H25F2NS — CID 114932112

IUPAC1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C17H25F2NS/c1-2-20-13(12-21-14-7-4-3-5-8-14)11-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyZZWAGUFUHKSJRB-UHFFFAOYSA-N
MW313.46 g/mol
LogP4.55
Rot. Bonds7

About 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 114932112) has the molecular formula C17H25F2NS and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID114932112
Molecular FormulaC17H25F2NS
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C17H25F2NS/c1-2-20-13(12-21-14-7-4-3-5-8-14)11-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyZZWAGUFUHKSJRB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (CID 114932112) is 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is CCNC(CSC1CCCCC1)Cc1c(F)cccc1F.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is ZZWAGUFUHKSJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NS/c1-2-20-13(12-21-14-7-4-3-5-8-14)11-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 313.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 114932112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).