1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine

C13H19NOS — CID 105190083

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C13H19NOS/c1-15-8-4-6-11(14)13-9-10-5-2-3-7-12(10)16-13/h2-3,5,7,11,13H,4,6,8-9,14H2,1H3
InChIKeyINSCRCCVXFEVHU-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.46
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine (PubChem CID 105190083) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
PubChem CID105190083
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C13H19NOS/c1-15-8-4-6-11(14)13-9-10-5-2-3-7-12(10)16-13/h2-3,5,7,11,13H,4,6,8-9,14H2,1H3
InChIKeyINSCRCCVXFEVHU-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-yn-1-amine
CID 105179456
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 105152981
1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
CID 107012061
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137284
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029885
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105189937
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine (CID 105190083) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine is COCCCC(N)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine?
The InChIKey is INSCRCCVXFEVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-8-4-6-11(14)13-9-10-5-2-3-7-12(10)16-13/h2-3,5,7,11,13H,4,6,8-9,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.46, 5 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-2-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 105190083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).