1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

C17H23NOS — CID 102613050

IUPAC1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H23NOS/c1-13(18-12-17(7-8-17)9-10-19-2)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyJRMOGHCCDCUMJQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.37
Rot. Bonds7

About 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (PubChem CID 102613050) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
PubChem CID102613050
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H23NOS/c1-13(18-12-17(7-8-17)9-10-19-2)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyJRMOGHCCDCUMJQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine
CID 10038968
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but-2-enyl)-amine
CID 10266775
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pentyl-amine
CID 10357514
N-(1-benzothiophen-2-ylmethyl)cyclohexanamine
CID 12844258
N-(1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 63505104
N-(1-benzothiophen-2-ylmethyl)-3-methyloxetan-3-amine
CID 145964215
N-(1-benzothiophen-2-ylmethyl)cyclooctanamine
CID 171354734
2-(1-Benzothiophen-2-ylmethylamino)-2-methylpropane-1,3-diol
CID 84600330
N-benzyl-4-{2-(3-methoxyprop-1-yn-1-yl)-benzo-[b]thiophen-3-yl}but-3-yn-1-amine
CID 132281488

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (CID 102613050) is 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is COCCC1(CNC(C)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is JRMOGHCCDCUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(18-12-17(7-8-17)9-10-19-2)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 102613050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).