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

C18H25NO2 — CID 105043949

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO2/c1-2-19-16(11-10-15-8-5-6-12-20-15)18-13-14-7-3-4-9-17(14)21-18/h3-4,7,9,13,15-16,19H,2,5-6,8,10-12H2,1H3
InChIKeyPTKJFEYASLEMLP-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.43
Rot. Bonds6

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

1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 105043949) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
PubChem CID105043949
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO2/c1-2-19-16(11-10-15-8-5-6-12-20-15)18-13-14-7-3-4-9-17(14)21-18/h3-4,7,9,13,15-16,19H,2,5-6,8,10-12H2,1H3
InChIKeyPTKJFEYASLEMLP-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzofuran-2-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105337722
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
N-ethyl-3-(oxolan-2-yl)-1-quinolin-2-ylpropan-1-amine
CID 65164311
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (CID 105043949) is 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is PTKJFEYASLEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-19-16(11-10-15-8-5-6-12-20-15)18-13-14-7-3-4-9-17(14)21-18/h3-4,7,9,13,15-16,19H,2,5-6,8,10-12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105043949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).