N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

C15H18N2OS — CID 80639477

IUPACN-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(OC)cc2)nc1
InChIInChI=1S/C15H18N2OS/c1-3-16-10-12-4-9-15(17-11-12)19-14-7-5-13(18-2)6-8-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQJNYYDPQWJLCBI-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.35
Rot. Bonds6

About N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80639477) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
PubChem CID80639477
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(OC)cc2)nc1
InChIInChI=1S/C15H18N2OS/c1-3-16-10-12-4-9-15(17-11-12)19-14-7-5-13(18-2)6-8-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQJNYYDPQWJLCBI-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
1-[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651549
N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (CID 80639477) is N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Sc2ccc(OC)cc2)nc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is QJNYYDPQWJLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-16-10-12-4-9-15(17-11-12)19-14-7-5-13(18-2)6-8-14/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).