[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine

C16H19NS — CID 107111264

IUPAC[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
SMILESCc1ccc(Sc2c(C)cccc2CN)c(C)c1
InChIInChI=1S/C16H19NS/c1-11-7-8-15(13(3)9-11)18-16-12(2)5-4-6-14(16)10-17/h4-9H,10,17H2,1-3H3
InChIKeyLYLPAZQOHSWKMS-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.22
Rot. Bonds3

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

[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine (PubChem CID 107111264) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
PubChem CID107111264
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine
SMILESCc1ccc(Sc2c(C)cccc2CN)c(C)c1
InChIInChI=1S/C16H19NS/c1-11-7-8-15(13(3)9-11)18-16-12(2)5-4-6-14(16)10-17/h4-9H,10,17H2,1-3H3
InChIKeyLYLPAZQOHSWKMS-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2-phenylsulfanylphenyl)methanamine
CID 107111253
2-(2,4-dimethylphenyl)sulfanyl-3-methylbenzonitrile
CID 107110779
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
CID 107111298
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
3-(2,4-dimethylphenyl)sulfanylaniline;hydrochloride
CID 175673340
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol
CID 163902949
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
2-(2,4-dimethylphenyl)sulfanyl-3,4-difluoroaniline
CID 55085738

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine?
The IUPAC name of [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine (CID 107111264) is [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine?
The canonical SMILES for [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine is Cc1ccc(Sc2c(C)cccc2CN)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine?
The InChIKey is LYLPAZQOHSWKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-11-7-8-15(13(3)9-11)18-16-12(2)5-4-6-14(16)10-17/h4-9H,10,17H2,1-3H3.
What are the key properties of [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine?
[2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanamine is sourced from PubChem (CID 107111264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).