1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine

C18H27NOS — CID 116718196

IUPAC1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C(CCC)OCC
InChIInChI=1S/C18H27NOS/c1-4-8-16(20-6-3)17(19-12-5-2)15-10-7-9-14-11-13-21-18(14)15/h7,9-11,13,16-17,19H,4-6,8,12H2,1-3H3
InChIKeyURMBGQLSUFDGEL-UHFFFAOYSA-N
MW305.49 g/mol
LogP5.15
Rot. Bonds9

About 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine

1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine (PubChem CID 116718196) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
PubChem CID116718196
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C(CCC)OCC
InChIInChI=1S/C18H27NOS/c1-4-8-16(20-6-3)17(19-12-5-2)15-10-7-9-14-11-13-21-18(14)15/h7,9-11,13,16-17,19H,4-6,8,12H2,1-3H3
InChIKeyURMBGQLSUFDGEL-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine (CID 116718196) is 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine is CCCNC(c1cccc2ccsc12)C(CCC)OCC.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine?
The InChIKey is URMBGQLSUFDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-4-8-16(20-6-3)17(19-12-5-2)15-10-7-9-14-11-13-21-18(14)15/h7,9-11,13,16-17,19H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine?
1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 5.15, 9 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)-2-ethoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116718196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).