2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine

C18H24N2S — CID 115982471

IUPAC2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1cccnc1CSc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H24N2S/c1-14-7-6-10-19-17(14)13-21-16-9-5-8-15(11-16)12-20-18(2,3)4/h5-11,20H,12-13H2,1-4H3
InChIKeyWZWNUYDJULKPLZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.57
Rot. Bonds5

About 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine (PubChem CID 115982471) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
PubChem CID115982471
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1cccnc1CSc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C18H24N2S/c1-14-7-6-10-19-17(14)13-21-16-9-5-8-15(11-16)12-20-18(2,3)4/h5-11,20H,12-13H2,1-4H3
InChIKeyWZWNUYDJULKPLZ-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ST4014630
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4-methyl-N-[2-(6-methylpyridin-3-yl)ethyl]aniline
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(2E)-N-methyl-2-(2-phenylsulfanylethylidene)-1-pyridin-3-ylcyclohexane-1-carbothioamide
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N-(2-pyridylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine
CID 20610177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine (CID 115982471) is 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine is Cc1cccnc1CSc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine?
The InChIKey is WZWNUYDJULKPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14-7-6-10-19-17(14)13-21-16-9-5-8-15(11-16)12-20-18(2,3)4/h5-11,20H,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115982471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).