2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine

C18H24N2S — CID 80639313

IUPAC2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccccc1Sc1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C18H24N2S/c1-13-8-6-7-9-16(13)21-17-14(2)10-15(11-19-17)12-20-18(3,4)5/h6-11,20H,12H2,1-5H3
InChIKeyXDOMMOJYRBZOTE-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.74
Rot. Bonds4

About 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80639313) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80639313
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccccc1Sc1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C18H24N2S/c1-13-8-6-7-9-16(13)21-17-14(2)10-15(11-19-17)12-20-18(3,4)5/h6-11,20H,12H2,1-5H3
InChIKeyXDOMMOJYRBZOTE-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80639728
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530
1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80628313
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650592
2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 63813301
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
1-[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651010
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640521
N-[[6-(3,4-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (CID 80639313) is 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is Cc1ccccc1Sc1ncc(CNC(C)(C)C)cc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is XDOMMOJYRBZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-8-6-7-9-16(13)21-17-14(2)10-15(11-19-17)12-20-18(3,4)5/h6-11,20H,12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80639313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).