(3-methyl-2-phenylsulfanylphenyl)methanamine

C14H15NS — CID 107111253

IUPAC(3-methyl-2-phenylsulfanylphenyl)methanamine
SMILESCc1cccc(CN)c1Sc1ccccc1
InChIInChI=1S/C14H15NS/c1-11-6-5-7-12(10-15)14(11)16-13-8-3-2-4-9-13/h2-9H,10,15H2,1H3
InChIKeyIDJSGAHYGBLOHN-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.60
Rot. Bonds3

About (3-methyl-2-phenylsulfanylphenyl)methanamine

(3-methyl-2-phenylsulfanylphenyl)methanamine (PubChem CID 107111253) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is (3-methyl-2-phenylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-methyl-2-phenylsulfanylphenyl)methanamine
PubChem CID107111253
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name(3-methyl-2-phenylsulfanylphenyl)methanamine
SMILESCc1cccc(CN)c1Sc1ccccc1
InChIInChI=1S/C14H15NS/c1-11-6-5-7-12(10-15)14(11)16-13-8-3-2-4-9-13/h2-9H,10,15H2,1H3
InChIKeyIDJSGAHYGBLOHN-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
CID 107111264
[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine
CID 114070263
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
CID 107111298
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
(2-methylphenyl)methanamine;molecular hydrogen;propane
CID 144873800
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
(8-methylnaphthalen-1-yl)methanamine
CID 58219649
ethanethial;(2-methylphenyl)methanamine
CID 143288844
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
[3-(2-methylphenyl)sulfanylphenyl]methanamine
CID 102818699
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
methoxymethane;phenylsulfanylbenzene
CID 175087336

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenylsulfanylphenyl)methanamine?
The IUPAC name of (3-methyl-2-phenylsulfanylphenyl)methanamine (CID 107111253) is (3-methyl-2-phenylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-methyl-2-phenylsulfanylphenyl)methanamine?
The canonical SMILES for (3-methyl-2-phenylsulfanylphenyl)methanamine is Cc1cccc(CN)c1Sc1ccccc1.
What is the InChIKey of (3-methyl-2-phenylsulfanylphenyl)methanamine?
The InChIKey is IDJSGAHYGBLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-6-5-7-12(10-15)14(11)16-13-8-3-2-4-9-13/h2-9H,10,15H2,1H3.
What are the key properties of (3-methyl-2-phenylsulfanylphenyl)methanamine?
(3-methyl-2-phenylsulfanylphenyl)methanamine has a molecular weight of 229.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenylsulfanylphenyl)methanamine is sourced from PubChem (CID 107111253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).