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

C17H21NO2S — CID 51500187

IUPAC2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
SMILESC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCO)cc1
InChIInChI=1S/C17H21NO2S/c1-13-16-7-11-21-17(16)6-8-18(13)12-14-2-4-15(5-3-14)20-10-9-19/h2-5,7,11,13,19H,6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyNFLIIOIQJIYSSV-CYBMUJFWSA-N
MW303.43 g/mol
LogP3.24
Rot. Bonds5

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

2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol (PubChem CID 51500187) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
PubChem CID51500187
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
SMILESC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCO)cc1
InChIInChI=1S/C17H21NO2S/c1-13-16-7-11-21-17(16)6-8-18(13)12-14-2-4-15(5-3-14)20-10-9-19/h2-5,7,11,13,19H,6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyNFLIIOIQJIYSSV-CYBMUJFWSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500181
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000906
5-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103998198
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
CID 51500695
4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16676298
5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65326163
5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51261732
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
CID 42919233
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol (CID 51500187) is 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol is C[C@@H]1c2ccsc2CCN1Cc1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The InChIKey is NFLIIOIQJIYSSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-16-7-11-21-17(16)6-8-18(13)12-14-2-4-15(5-3-14)20-10-9-19/h2-5,7,11,13,19H,6,8-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol?
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol has a molecular weight of 303.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 51500187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).