[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine

C15H17NS — CID 43528946

IUPAC[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccccc2CN)cc1C
InChIInChI=1S/C15H17NS/c1-11-7-8-14(9-12(11)2)17-15-6-4-3-5-13(15)10-16/h3-9H,10,16H2,1-2H3
InChIKeyYOUNWMOBNRWHBW-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.91
Rot. Bonds3

About [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine

[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine (PubChem CID 43528946) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
PubChem CID43528946
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2ccccc2CN)cc1C
InChIInChI=1S/C15H17NS/c1-11-7-8-14(9-12(11)2)17-15-6-4-3-5-13(15)10-16/h3-9H,10,16H2,1-2H3
InChIKeyYOUNWMOBNRWHBW-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

IFN alpha-IFNAR-IN-1
CID 826634
2-(3-Phenylthio)phenyl)-1-aminoethane
CID 11849796
1-Methyl-2-(4-phenylsulfanyl-phenyl)-ethylamine
CID 44613329
(2-(4-(methylthio)benzyl)phenyl)-N-methylmethanamine
CID 44568693
[4-(Ethylsulfanyl)phenyl]methanamine
CID 12842467
1-Methyl-2-[2-(phenylsulfanyl)phenyl]ethylamine
CID 11834785
[3-(4-Methylsulfanylphenyl)phenyl]methanamine
CID 1392849
Benzenemethanamine, 4-((phenylmethyl)thio)-, hydrochloride
CID 3043268
[4-(Phenylsulfanyl)phenyl]methanamine
CID 12842469
[2-(2-Methylphenyl)sulfanylphenyl]methanamine
CID 18676228
[2-[2-(Aminomethyl)phenyl]sulfanylphenyl]methanamine
CID 320123
[2-(4-Methylsulfanylphenyl)phenyl]methanamine
CID 1393414

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine (CID 43528946) is [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine is Cc1ccc(Sc2ccccc2CN)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
The InChIKey is YOUNWMOBNRWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-7-8-14(9-12(11)2)17-15-6-4-3-5-13(15)10-16/h3-9H,10,16H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine?
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine has a molecular weight of 243.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43528946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).