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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Related Compounds

3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]benzonitrile
CID 43288616
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171434
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
2-[4-[(2S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 94172251
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042

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).