3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine

C18H22N2O — CID 65445510

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-2-20-17(16-4-3-10-19-13-16)7-5-14-6-8-18-15(12-14)9-11-21-18/h3-4,6,8,10,12-13,17,20H,2,5,7,9,11H2,1H3
InChIKeyXNPODAZQTYWWKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 65445510) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
PubChem CID65445510
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-2-20-17(16-4-3-10-19-13-16)7-5-14-6-8-18-15(12-14)9-11-21-18/h3-4,6,8,10,12-13,17,20H,2,5,7,9,11H2,1H3
InChIKeyXNPODAZQTYWWKW-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 106692149
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115856908
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine (CID 65445510) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine is CCNC(CCc1ccc2c(c1)CCO2)c1cccnc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is XNPODAZQTYWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20-17(16-4-3-10-19-13-16)7-5-14-6-8-18-15(12-14)9-11-21-18/h3-4,6,8,10,12-13,17,20H,2,5,7,9,11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 65445510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).