N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine

C16H20N2S — CID 83124395

IUPACN-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(SCc2ccccc2C)cn1
InChIInChI=1S/C16H20N2S/c1-12-6-4-5-7-14(12)11-19-15-8-9-16(18-10-15)13(2)17-3/h4-10,13,17H,11H2,1-3H3
InChIKeyJTVNOROZGNLROL-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine

N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine (PubChem CID 83124395) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
PubChem CID83124395
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(SCc2ccccc2C)cn1
InChIInChI=1S/C16H20N2S/c1-12-6-4-5-7-14(12)11-19-15-8-9-16(18-10-15)13(2)17-3/h4-10,13,17H,11H2,1-3H3
InChIKeyJTVNOROZGNLROL-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine (CID 83124395) is N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine is CNC(C)c1ccc(SCc2ccccc2C)cn1.
What is the InChIKey of N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
The InChIKey is JTVNOROZGNLROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-6-4-5-7-14(12)11-19-15-8-9-16(18-10-15)13(2)17-3/h4-10,13,17H,11H2,1-3H3.
What are the key properties of N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine?
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).