2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol

C17H23NO2S — CID 81133562

IUPAC2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2cc(C)sc2C)c1
InChIInChI=1S/C17H23NO2S/c1-11-8-16(13(3)21-11)12(2)18-10-17(19)14-6-5-7-15(9-14)20-4/h5-9,12,17-19H,10H2,1-4H3
InChIKeyGXFWDWUSJQXDRL-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.76
Rot. Bonds6

About 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol

2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81133562) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID81133562
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2cc(C)sc2C)c1
InChIInChI=1S/C17H23NO2S/c1-11-8-16(13(3)21-11)12(2)18-10-17(19)14-6-5-7-15(9-14)20-4/h5-9,12,17-19H,10H2,1-4H3
InChIKeyGXFWDWUSJQXDRL-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
(1S)-1-(3-methoxyphenyl)-2-[[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]amino]ethanol
CID 98851139
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol (CID 81133562) is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)c2cc(C)sc2C)c1.
What is the InChIKey of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is GXFWDWUSJQXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-11-8-16(13(3)21-11)12(2)18-10-17(19)14-6-5-7-15(9-14)20-4/h5-9,12,17-19H,10H2,1-4H3.
What are the key properties of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 305.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81133562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).