1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine

C11H15NOS — CID 79221788

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
SMILESCCONCC1CSc2ccccc21
InChIInChI=1S/C11H15NOS/c1-2-13-12-7-9-8-14-11-6-4-3-5-10(9)11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyAOTNNUBRQUTWKH-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.42
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine (PubChem CID 79221788) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
PubChem CID79221788
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
SMILESCCONCC1CSc2ccccc21
InChIInChI=1S/C11H15NOS/c1-2-13-12-7-9-8-14-11-6-4-3-5-10(9)11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyAOTNNUBRQUTWKH-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
CID 79220930
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
CID 79220706
ethyl 4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoate
CID 79220941
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-propylaniline
CID 79220693
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-methylheptan-2-amine
CID 79220614

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine (CID 79221788) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine is CCONCC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine?
The InChIKey is AOTNNUBRQUTWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-13-12-7-9-8-14-11-6-4-3-5-10(9)11/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine has a molecular weight of 209.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine is sourced from PubChem (CID 79221788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).