1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine

C15H21F2NS — CID 65139451

IUPAC1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h6-7,9,13-14H,1-5,8,10,18H2
InChIKeyDSPDZQCNWLOLCI-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.90
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine

1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine (PubChem CID 65139451) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
PubChem CID65139451
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H21F2NS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h6-7,9,13-14H,1-5,8,10,18H2
InChIKeyDSPDZQCNWLOLCI-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
CID 65138710
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
1-cyclohexylsulfanyl-3-(4-fluorophenyl)propan-2-amine
CID 65139947
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine (CID 65139451) is 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine is NC(CSC1CCCCC1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
The InChIKey is DSPDZQCNWLOLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h6-7,9,13-14H,1-5,8,10,18H2.
What are the key properties of 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine?
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine has a molecular weight of 285.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 65139451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).