1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine

C18H25NOS — CID 105021741

IUPAC1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1cccc2ccsc12
InChIInChI=1S/C18H25NOS/c1-2-19-17(10-9-15-7-3-4-12-20-15)16-8-5-6-14-11-13-21-18(14)16/h5-6,8,11,13,15,17,19H,2-4,7,9-10,12H2,1H3
InChIKeySYWMODDUDMCNKT-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.90
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine

1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 105021741) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
PubChem CID105021741
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1cccc2ccsc12
InChIInChI=1S/C18H25NOS/c1-2-19-17(10-9-15-7-3-4-12-20-15)16-8-5-6-14-11-13-21-18(14)16/h5-6,8,11,13,15,17,19H,2-4,7,9-10,12H2,1H3
InChIKeySYWMODDUDMCNKT-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267339
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 80535906
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-ethyl-3-(oxolan-2-yl)-1-quinolin-2-ylpropan-1-amine
CID 65164311
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (CID 105021741) is 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is SYWMODDUDMCNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-2-19-17(10-9-15-7-3-4-12-20-15)16-8-5-6-14-11-13-21-18(14)16/h5-6,8,11,13,15,17,19H,2-4,7,9-10,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105021741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).