1-(4-phenylsulfanylphenyl)propan-2-amine

C15H17NS — CID 44613329

IUPAC1-(4-phenylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-12(16)11-13-7-9-15(10-8-13)17-14-5-3-2-4-6-14/h2-10,12H,11,16H2,1H3
InChIKeyFPOOXERVBCKPAG-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-phenylsulfanylphenyl)propan-2-amine

1-(4-phenylsulfanylphenyl)propan-2-amine (PubChem CID 44613329) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(4-phenylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-phenylsulfanylphenyl)propan-2-amine
PubChem CID44613329
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name1-(4-phenylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-12(16)11-13-7-9-15(10-8-13)17-14-5-3-2-4-6-14/h2-10,12H,11,16H2,1H3
InChIKeyFPOOXERVBCKPAG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(4-phenylsulfanylphenyl)propan-2-amine (CID 44613329) is 1-(4-phenylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-phenylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-phenylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylsulfanylphenyl)propan-2-amine?
The InChIKey is FPOOXERVBCKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12(16)11-13-7-9-15(10-8-13)17-14-5-3-2-4-6-14/h2-10,12H,11,16H2,1H3.
What are the key properties of 1-(4-phenylsulfanylphenyl)propan-2-amine?
1-(4-phenylsulfanylphenyl)propan-2-amine has a molecular weight of 243.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 44613329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).