2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine

C15H18N2OS — CID 80639378

IUPAC2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C15H18N2OS/c1-18-10-9-16-11-13-7-8-15(17-12-13)19-14-5-3-2-4-6-14/h2-8,12,16H,9-11H2,1H3
InChIKeyPCYYWIIJKAUGFH-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.97
Rot. Bonds7

About 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine

2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine (PubChem CID 80639378) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
PubChem CID80639378
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C15H18N2OS/c1-18-10-9-16-11-13-7-8-15(17-12-13)19-14-5-3-2-4-6-14/h2-8,12,16H,9-11H2,1H3
InChIKeyPCYYWIIJKAUGFH-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
CID 114231429
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine (CID 80639378) is 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine is COCCNCc1ccc(Sc2ccccc2)nc1.
What is the InChIKey of 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is PCYYWIIJKAUGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-10-9-16-11-13-7-8-15(17-12-13)19-14-5-3-2-4-6-14/h2-8,12,16H,9-11H2,1H3.
What are the key properties of 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine?
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).