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

C17H20N2O — CID 104542511

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-2-19-16(10-13-4-3-8-18-12-13)14-5-6-17-15(11-14)7-9-20-17/h3-6,8,11-12,16,19H,2,7,9-10H2,1H3
InChIKeyBWPKIOSHXUNKCG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 104542511) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID104542511
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-2-19-16(10-13-4-3-8-18-12-13)14-5-6-17-15(11-14)7-9-20-17/h3-6,8,11-12,16,19H,2,7,9-10H2,1H3
InChIKeyBWPKIOSHXUNKCG-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822325
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine (CID 104542511) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is BWPKIOSHXUNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19-16(10-13-4-3-8-18-12-13)14-5-6-17-15(11-14)7-9-20-17/h3-6,8,11-12,16,19H,2,7,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 104542511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).