[3-(4-methylsulfanylphenyl)phenyl]methanamine

C14H15NS — CID 1392849

IUPAC[3-(4-methylsulfanylphenyl)phenyl]methanamine
SMILESCSc1ccc(-c2cccc(CN)c2)cc1
InChIInChI=1S/C14H15NS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-9H,10,15H2,1H3
InChIKeyWDOACWQWONGRFD-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.53
Rot. Bonds3

About [3-(4-methylsulfanylphenyl)phenyl]methanamine

[3-(4-methylsulfanylphenyl)phenyl]methanamine (PubChem CID 1392849) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is [3-(4-methylsulfanylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-methylsulfanylphenyl)phenyl]methanamine
PubChem CID1392849
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name[3-(4-methylsulfanylphenyl)phenyl]methanamine
SMILESCSc1ccc(-c2cccc(CN)c2)cc1
InChIInChI=1S/C14H15NS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-9H,10,15H2,1H3
InChIKeyWDOACWQWONGRFD-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfanylphenyl)phenyl]methanamine?
The IUPAC name of [3-(4-methylsulfanylphenyl)phenyl]methanamine (CID 1392849) is [3-(4-methylsulfanylphenyl)phenyl]methanamine.
What is the SMILES notation for [3-(4-methylsulfanylphenyl)phenyl]methanamine?
The canonical SMILES for [3-(4-methylsulfanylphenyl)phenyl]methanamine is CSc1ccc(-c2cccc(CN)c2)cc1.
What is the InChIKey of [3-(4-methylsulfanylphenyl)phenyl]methanamine?
The InChIKey is WDOACWQWONGRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-9H,10,15H2,1H3.
What are the key properties of [3-(4-methylsulfanylphenyl)phenyl]methanamine?
[3-(4-methylsulfanylphenyl)phenyl]methanamine has a molecular weight of 229.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfanylphenyl)phenyl]methanamine is sourced from PubChem (CID 1392849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).