(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine

C16H20N2S — CID 55189789

IUPAC(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
SMILESCC1c2ccsc2CCN1c1ccccc1[C@@H](C)N
InChIInChI=1S/C16H20N2S/c1-11(17)13-5-3-4-6-15(13)18-9-7-16-14(12(18)2)8-10-19-16/h3-6,8,10-12H,7,9,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyACWUGBUYMLWDSL-JHJMLUEUSA-N
MW272.42 g/mol
LogP3.89
Rot. Bonds2

About (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine

(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine (PubChem CID 55189789) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
PubChem CID55189789
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
SMILESCC1c2ccsc2CCN1c1ccccc1[C@@H](C)N
InChIInChI=1S/C16H20N2S/c1-11(17)13-5-3-4-6-15(13)18-9-7-16-14(12(18)2)8-10-19-16/h3-6,8,10-12H,7,9,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyACWUGBUYMLWDSL-JHJMLUEUSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine (CID 55189789) is (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine is CC1c2ccsc2CCN1c1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The InChIKey is ACWUGBUYMLWDSL-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(17)13-5-3-4-6-15(13)18-9-7-16-14(12(18)2)8-10-19-16/h3-6,8,10-12H,7,9,17H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine is sourced from PubChem (CID 55189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).