3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine

C17H23NOS — CID 116723414

IUPAC3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1csc2ccccc12)NC
InChIInChI=1S/C17H23NOS/c1-3-19-17(12-8-9-12)15(18-2)10-13-11-20-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3
InChIKeyZXUKVQQTDNBXHS-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.85
Rot. Bonds7

About 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine

3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine (PubChem CID 116723414) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
PubChem CID116723414
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1csc2ccccc12)NC
InChIInChI=1S/C17H23NOS/c1-3-19-17(12-8-9-12)15(18-2)10-13-11-20-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3
InChIKeyZXUKVQQTDNBXHS-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721185
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
(1-cyclopropyl-1-ethoxy-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105273185
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine (CID 116723414) is 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine is CCOC(C1CC1)C(Cc1csc2ccccc12)NC.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine?
The InChIKey is ZXUKVQQTDNBXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-19-17(12-8-9-12)15(18-2)10-13-11-20-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18H,3,8-10H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine?
3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116723414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).