1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

C18H20N2O — CID 82733301

IUPAC1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-3-14-8-6-10-19-16(14)12-20-13(2)18-11-15-7-4-5-9-17(15)21-18/h4-11,13,20H,3,12H2,1-2H3
InChIKeyFYLWUGYLGTYJSL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.24
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82733301) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID82733301
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-3-14-8-6-10-19-16(14)12-20-13(2)18-11-15-7-4-5-9-17(15)21-18/h4-11,13,20H,3,12H2,1-2H3
InChIKeyFYLWUGYLGTYJSL-UHFFFAOYSA-N
XLogP4.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-(1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884827
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732745

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 82733301) is 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine is CCc1cccnc1CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is FYLWUGYLGTYJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-14-8-6-10-19-16(14)12-20-13(2)18-11-15-7-4-5-9-17(15)21-18/h4-11,13,20H,3,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 4.24, 5 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-[(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).