N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine

C14H19NOS — CID 114983145

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NOS/c1-11(15-8-5-9-16-2)14-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3
InChIKeyXBJFTWPGKDSPJE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.59
Rot. Bonds6

About N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 114983145) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID114983145
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NOS/c1-11(15-8-5-9-16-2)14-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3
InChIKeyXBJFTWPGKDSPJE-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.59
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-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 102613050
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine (CID 114983145) is N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine is COCCCNC(C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is XBJFTWPGKDSPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11(15-8-5-9-16-2)14-10-12-6-3-4-7-13(12)17-14/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 114983145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).