1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol

C17H17NOS — CID 62698299

IUPAC1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1csc2ccccc12
InChIInChI=1S/C17H17NOS/c1-12(19)14-6-2-4-8-16(14)18-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,11-12,18-19H,10H2,1H3
InChIKeyXCYVSDPXEPHNQE-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol

1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol (PubChem CID 62698299) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
PubChem CID62698299
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1csc2ccccc12
InChIInChI=1S/C17H17NOS/c1-12(19)14-6-2-4-8-16(14)18-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,11-12,18-19H,10H2,1H3
InChIKeyXCYVSDPXEPHNQE-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
N-(1-benzothiophen-3-ylmethyl)-2,4-dimethylaniline
CID 63418099
N-(1-benzothiophen-3-ylmethyl)-2-nitroaniline
CID 60964365
N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine
CID 62699234
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
1-N-(1-benzothiophen-3-ylmethyl)-4-methylbenzene-1,2-diamine
CID 115125075
N-(1-benzothiophen-3-ylmethyl)-5-bromo-2-methylaniline
CID 63445567
N-(1-benzothiophen-3-ylmethyl)-4-iodo-2-methylaniline
CID 63440961
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol?
The IUPAC name of 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol (CID 62698299) is 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol?
The canonical SMILES for 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol is CC(O)c1ccccc1NCc1csc2ccccc12.
What is the InChIKey of 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol?
The InChIKey is XCYVSDPXEPHNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12(19)14-6-2-4-8-16(14)18-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,11-12,18-19H,10H2,1H3.
What are the key properties of 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol?
1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol has a molecular weight of 283.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol is sourced from PubChem (CID 62698299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).