[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol

C14H19NOS — CID 67333477

IUPAC[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol
SMILESCCN(CC)Cc1ccc2cc(CO)sc2c1
InChIInChI=1S/C14H19NOS/c1-3-15(4-2)9-11-5-6-12-8-13(10-16)17-14(12)7-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyAYHPXAJPXIFJTJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.24
Rot. Bonds5

About [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol

[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol (PubChem CID 67333477) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol
PubChem CID67333477
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol
SMILESCCN(CC)Cc1ccc2cc(CO)sc2c1
InChIInChI=1S/C14H19NOS/c1-3-15(4-2)9-11-5-6-12-8-13(10-16)17-14(12)7-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyAYHPXAJPXIFJTJ-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol?
The IUPAC name of [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol (CID 67333477) is [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol is CCN(CC)Cc1ccc2cc(CO)sc2c1.
What is the InChIKey of [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol?
The InChIKey is AYHPXAJPXIFJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-15(4-2)9-11-5-6-12-8-13(10-16)17-14(12)7-11/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol?
[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol has a molecular weight of 249.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 67333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).