1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine

C15H14ClF2NS — CID 114932224

IUPAC1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14ClF2NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2
InChIKeyOUBBTZSBPJUESO-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine

1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine (PubChem CID 114932224) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
PubChem CID114932224
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14ClF2NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2
InChIKeyOUBBTZSBPJUESO-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine (CID 114932224) is 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine is NC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is OUBBTZSBPJUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11H,8-9,19H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 313.80 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 114932224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).