1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine

C15H14ClF2NS — CID 66144761

IUPAC1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13H,8-9,19H2
InChIKeyLKMREVJCPPGTHO-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine

1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine (PubChem CID 66144761) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
PubChem CID66144761
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13H,8-9,19H2
InChIKeyLKMREVJCPPGTHO-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-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143598

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine (CID 66144761) is 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine is NC(CSc1ccc(Cl)cc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine?
The InChIKey is LKMREVJCPPGTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13H,8-9,19H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine?
1-(4-chlorophenyl)sulfanyl-3-(2,5-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-(2,5-difluorophenyl)propan-2-amine is sourced from PubChem (CID 66144761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).