1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

C16H17ClFNS — CID 105374048

IUPAC1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15H,9-10,19H2,1H3
InChIKeyLIWIWEAQRIFFDK-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 105374048) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
PubChem CID105374048
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15H,9-10,19H2,1H3
InChIKeyLIWIWEAQRIFFDK-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (CID 105374048) is 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine is Cc1ccc(F)cc1CC(N)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is LIWIWEAQRIFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-11-2-5-14(18)8-12(11)9-15(19)10-20-16-6-3-13(17)4-7-16/h2-8,15H,9-10,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 309.84 g/mol, XLogP of 4.45, 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-(5-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 105374048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).