2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol

C17H17NOS — CID 2826154

IUPAC2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17NOS/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,18-19H,10-11H2
InChIKeyMXZJTIDEWVYZLC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.72
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol

2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol (PubChem CID 2826154) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol
PubChem CID2826154
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol
SMILESOC(CNCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17NOS/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,18-19H,10-11H2
InChIKeyMXZJTIDEWVYZLC-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66572393
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol (CID 2826154) is 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol is OC(CNCc1csc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol?
The InChIKey is MXZJTIDEWVYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,18-19H,10-11H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol?
2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol has a molecular weight of 283.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylamino)-1-phenylethanol is sourced from PubChem (CID 2826154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).