N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine

C16H20N2S — CID 2843119

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCSc1ccc(CN(C)CCc2ccccn2)cc1
InChIInChI=1S/C16H20N2S/c1-18(12-10-15-5-3-4-11-17-15)13-14-6-8-16(19-2)9-7-14/h3-9,11H,10,12-13H2,1-2H3
InChIKeyIACRQLBSMMHLDH-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.48
Rot. Bonds6

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 2843119) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID2843119
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCSc1ccc(CN(C)CCc2ccccn2)cc1
InChIInChI=1S/C16H20N2S/c1-18(12-10-15-5-3-4-11-17-15)13-14-6-8-16(19-2)9-7-14/h3-9,11H,10,12-13H2,1-2H3
InChIKeyIACRQLBSMMHLDH-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine (CID 2843119) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine is CSc1ccc(CN(C)CCc2ccccn2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is IACRQLBSMMHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(12-10-15-5-3-4-11-17-15)13-14-6-8-16(19-2)9-7-14/h3-9,11H,10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 2843119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).