2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine

C16H20N2S — CID 102926269

IUPAC2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
SMILESCc1cc(C)nc(Sc2ccc(CCN)cc2C)c1
InChIInChI=1S/C16H20N2S/c1-11-8-13(3)18-16(9-11)19-15-5-4-14(6-7-17)10-12(15)2/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeySXVFTHYCKQXJMW-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.66
Rot. Bonds4

About 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine

2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine (PubChem CID 102926269) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
PubChem CID102926269
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
SMILESCc1cc(C)nc(Sc2ccc(CCN)cc2C)c1
InChIInChI=1S/C16H20N2S/c1-11-8-13(3)18-16(9-11)19-15-5-4-14(6-7-17)10-12(15)2/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeySXVFTHYCKQXJMW-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818247
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine
CID 102926096
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
3-[4-(2-aminoethyl)-2-methylphenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 55259435
2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 102926248
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926128

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine (CID 102926269) is 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine is Cc1cc(C)nc(Sc2ccc(CCN)cc2C)c1.
What is the InChIKey of 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine?
The InChIKey is SXVFTHYCKQXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-8-13(3)18-16(9-11)19-15-5-4-14(6-7-17)10-12(15)2/h4-5,8-10H,6-7,17H2,1-3H3.
What are the key properties of 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine?
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine is sourced from PubChem (CID 102926269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).