2-(3-phenylsulfanylphenyl)ethanamine

C14H15NS — CID 11849796

IUPAC2-(3-phenylsulfanylphenyl)ethanamine
SMILESNCCc1cccc(Sc2ccccc2)c1
InChIInChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
InChIKeyFJLQSSVQBNJTEU-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.34
Rot. Bonds4

About 2-(3-phenylsulfanylphenyl)ethanamine

2-(3-phenylsulfanylphenyl)ethanamine (PubChem CID 11849796) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(3-phenylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-phenylsulfanylphenyl)ethanamine
PubChem CID11849796
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(3-phenylsulfanylphenyl)ethanamine
SMILESNCCc1cccc(Sc2ccccc2)c1
InChIInChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
InChIKeyFJLQSSVQBNJTEU-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-phenylsulfanylphenyl)ethanamine (CID 11849796) is 2-(3-phenylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-phenylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-phenylsulfanylphenyl)ethanamine is NCCc1cccc(Sc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylsulfanylphenyl)ethanamine?
The InChIKey is FJLQSSVQBNJTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2.
What are the key properties of 2-(3-phenylsulfanylphenyl)ethanamine?
2-(3-phenylsulfanylphenyl)ethanamine has a molecular weight of 229.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylsulfanylphenyl)ethanamine is sourced from PubChem (CID 11849796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).