1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine

C15H15ClFNS — CID 63817979

IUPAC1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H15ClFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyXCWRDOPSRGJFNP-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.52
Rot. Bonds4

About 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine

1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine (PubChem CID 63817979) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
PubChem CID63817979
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H15ClFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyXCWRDOPSRGJFNP-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63818502
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 63820349
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine (CID 63817979) is 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(Sc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The InChIKey is XCWRDOPSRGJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine has a molecular weight of 295.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63817979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).