2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol

C11H13NOS — CID 112546008

IUPAC2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol
SMILESCc1cccc2c(O)c(CCN)sc12
InChIInChI=1S/C11H13NOS/c1-7-3-2-4-8-10(13)9(5-6-12)14-11(7)8/h2-4,13H,5-6,12H2,1H3
InChIKeyUNFCUUOBYGWSDS-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.42
Rot. Bonds2

About 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol

2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol (PubChem CID 112546008) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol
PubChem CID112546008
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol
SMILESCc1cccc2c(O)c(CCN)sc12
InChIInChI=1S/C11H13NOS/c1-7-3-2-4-8-10(13)9(5-6-12)14-11(7)8/h2-4,13H,5-6,12H2,1H3
InChIKeyUNFCUUOBYGWSDS-UHFFFAOYSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-1-benzothiophene-3,7-diol
CID 112546073
4,6-dimethyldibenzothiophene
CID 161055331
2-(aminomethyl)-7-chloro-1-benzothiophen-3-ol
CID 112546241
[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
CID 130971621
2-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130969357
4,5-dimethylthioxanthen-9-one
CID 10800095
2,7-dimethyl-1-benzothiophene-3-sulfonamide
CID 71755810
ethyl 2-(3,7-dimethyl-1-benzothiophen-2-yl)-2-oxoacetate
CID 115072814
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
2-tert-butyl-3,7-dimethyl-1-benzothiophene
CID 155456279
2-amino-2-(2,7-dimethyl-1-benzothiophen-3-yl)acetic acid
CID 115073121

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol?
The IUPAC name of 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol (CID 112546008) is 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol is Cc1cccc2c(O)c(CCN)sc12.
What is the InChIKey of 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol?
The InChIKey is UNFCUUOBYGWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-3-2-4-8-10(13)9(5-6-12)14-11(7)8/h2-4,13H,5-6,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol?
2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol has a molecular weight of 207.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 112546008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).