2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine

C17H22N2OS — CID 43530849

IUPAC2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCN2CCc3sccc3C2)cc1
InChIInChI=1S/C17H22N2OS/c18-8-5-14-1-3-16(4-2-14)20-11-10-19-9-6-17-15(13-19)7-12-21-17/h1-4,7,12H,5-6,8-11,13,18H2
InChIKeyVOPMKHXCEDUNOA-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine

2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine (PubChem CID 43530849) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
PubChem CID43530849
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCN2CCc3sccc3C2)cc1
InChIInChI=1S/C17H22N2OS/c18-8-5-14-1-3-16(4-2-14)20-11-10-19-9-6-17-15(13-19)7-12-21-17/h1-4,7,12H,5-6,8-11,13,18H2
InChIKeyVOPMKHXCEDUNOA-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine (CID 43530849) is 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine is NCCc1ccc(OCCN2CCc3sccc3C2)cc1.
What is the InChIKey of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VOPMKHXCEDUNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c18-8-5-14-1-3-16(4-2-14)20-11-10-19-9-6-17-15(13-19)7-12-21-17/h1-4,7,12H,5-6,8-11,13,18H2.
What are the key properties of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine?
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine has a molecular weight of 302.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 43530849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).