1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine

C14H19NOS — CID 141030590

IUPAC1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
SMILESCNC(C)COCCc1ccc2sccc2c1
InChIInChI=1S/C14H19NOS/c1-11(15-2)10-16-7-5-12-3-4-14-13(9-12)6-8-17-14/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3
InChIKeySSLVKNCMQFRPFM-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.07
Rot. Bonds6

About 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine

1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine (PubChem CID 141030590) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
PubChem CID141030590
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
SMILESCNC(C)COCCc1ccc2sccc2c1
InChIInChI=1S/C14H19NOS/c1-11(15-2)10-16-7-5-12-3-4-14-13(9-12)6-8-17-14/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3
InChIKeySSLVKNCMQFRPFM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
CID 139922986
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 139922968
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-[3-(4-methoxyphenyl)propyl]piperazine
CID 139810904
(4S)-4-(1-benzothiophen-5-ylmethylamino)-2-methylpentan-2-ol
CID 95124233
1-[(E)-3-[2-(1-benzothiophen-5-yl)ethoxy]prop-1-enyl]piperidin-4-ol
CID 163965973
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methylamino]ethyl 2,2-dimethylpropanoate;hydrochloride
CID 22666508
2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
CID 22666560
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine
CID 139810822
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]pyrrolidin-3-ol;hydrate
CID 172697943
(2R)-2-[1-benzothiophen-5-ylmethylsulfonyl-[2-(2-methoxyethoxy)ethyl]amino]-N-hydroxypropanamide
CID 163552363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine (CID 141030590) is 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine is CNC(C)COCCc1ccc2sccc2c1.
What is the InChIKey of 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine?
The InChIKey is SSLVKNCMQFRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11(15-2)10-16-7-5-12-3-4-14-13(9-12)6-8-17-14/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3.
What are the key properties of 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine?
1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine is sourced from PubChem (CID 141030590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).