[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine

C16H19NS — CID 107111298

IUPAC[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
SMILESCc1cccc(CSc2c(C)cccc2CN)c1
InChIInChI=1S/C16H19NS/c1-12-5-3-7-14(9-12)11-18-16-13(2)6-4-8-15(16)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyFSVQLUJMKNZVKO-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.05
Rot. Bonds4

About [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine

[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine (PubChem CID 107111298) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
PubChem CID107111298
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
SMILESCc1cccc(CSc2c(C)cccc2CN)c1
InChIInChI=1S/C16H19NS/c1-12-5-3-7-14(9-12)11-18-16-13(2)6-4-8-15(16)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyFSVQLUJMKNZVKO-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 107112680
[3-[(3-methylphenyl)methylsulfanyl]pyridazin-4-yl]methanamine
CID 80514741
[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
CID 107111264
2-[4-chloro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 114866343
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
3,5-difluoro-4-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 63537880
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
(3-methyl-2-phenylsulfanylphenyl)methanamine
CID 107111253
1-[2-methyl-4-[(3-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819534
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine (CID 107111298) is [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine is Cc1cccc(CSc2c(C)cccc2CN)c1.
What is the InChIKey of [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine?
The InChIKey is FSVQLUJMKNZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-5-3-7-14(9-12)11-18-16-13(2)6-4-8-15(16)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine?
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 107111298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).