[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine

C15H18N2S — CID 107931496

IUPAC[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
SMILESCc1cc(C)nc(Sc2ccc(C)cc2CN)c1
InChIInChI=1S/C15H18N2S/c1-10-4-5-14(13(7-10)9-16)18-15-8-11(2)6-12(3)17-15/h4-8H,9,16H2,1-3H3
InChIKeyRJOWKMFEXPFTAB-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.62
Rot. Bonds3

About [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine

[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine (PubChem CID 107931496) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
PubChem CID107931496
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
SMILESCc1cc(C)nc(Sc2ccc(C)cc2CN)c1
InChIInChI=1S/C15H18N2S/c1-10-4-5-14(13(7-10)9-16)18-15-8-11(2)6-12(3)17-15/h4-8H,9,16H2,1-3H3
InChIKeyRJOWKMFEXPFTAB-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 107931477
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931436
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
CID 102926243
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265

Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine?
The IUPAC name of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine (CID 107931496) is [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine.
What is the SMILES notation for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine?
The canonical SMILES for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine is Cc1cc(C)nc(Sc2ccc(C)cc2CN)c1.
What is the InChIKey of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine?
The InChIKey is RJOWKMFEXPFTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-4-5-14(13(7-10)9-16)18-15-8-11(2)6-12(3)17-15/h4-8H,9,16H2,1-3H3.
What are the key properties of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine?
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine is sourced from PubChem (CID 107931496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).