2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine

C15H18N2OS — CID 43530482

IUPAC2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCSc2ccccn2)cc1
InChIInChI=1S/C15H18N2OS/c16-9-8-13-4-6-14(7-5-13)18-11-12-19-15-3-1-2-10-17-15/h1-7,10H,8-9,11-12,16H2
InChIKeyWHTPLOKONDWBBK-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine

2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine (PubChem CID 43530482) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine
PubChem CID43530482
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCSc2ccccn2)cc1
InChIInChI=1S/C15H18N2OS/c16-9-8-13-4-6-14(7-5-13)18-11-12-19-15-3-1-2-10-17-15/h1-7,10H,8-9,11-12,16H2
InChIKeyWHTPLOKONDWBBK-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 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 ≤ 52.75
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-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
CID 86262476
2-[2-[4-(3,5-difluorophenoxy)phenoxy]ethylsulfanyl]pyridine
CID 14154406
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]phenyl]ethanamine
CID 115383238
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
2-[4-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]ethanamine
CID 43530181
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine (CID 43530482) is 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine is NCCc1ccc(OCCSc2ccccn2)cc1.
What is the InChIKey of 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine?
The InChIKey is WHTPLOKONDWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-9-8-13-4-6-14(7-5-13)18-11-12-19-15-3-1-2-10-17-15/h1-7,10H,8-9,11-12,16H2.
What are the key properties of 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine?
2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-2-ylsulfanylethoxy)phenyl]ethanamine is sourced from PubChem (CID 43530482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).