2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

C18H24N2S — CID 80639314

IUPAC2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCc1ccccc1Sc1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C18H24N2S/c1-13(2)10-19-11-16-9-15(4)18(20-12-16)21-17-8-6-5-7-14(17)3/h5-9,12-13,19H,10-11H2,1-4H3
InChIKeyFQOFPKCYVUKGMS-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.60
Rot. Bonds6

About 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80639314) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID80639314
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCc1ccccc1Sc1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C18H24N2S/c1-13(2)10-19-11-16-9-15(4)18(20-12-16)21-17-8-6-5-7-14(17)3/h5-9,12-13,19H,10-11H2,1-4H3
InChIKeyFQOFPKCYVUKGMS-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639313
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80650679
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80640458
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 104604381
2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (CID 80639314) is 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine is Cc1ccccc1Sc1ncc(CNCC(C)C)cc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is FQOFPKCYVUKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13(2)10-19-11-16-9-15(4)18(20-12-16)21-17-8-6-5-7-14(17)3/h5-9,12-13,19H,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.60, 6 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-1-amine is sourced from PubChem (CID 80639314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).