1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

C17H23N3O — CID 115822325

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23N3O/c1-3-18-16(9-13-11-19-20(4-2)12-13)14-5-6-17-15(10-14)7-8-21-17/h5-6,10-12,16,18H,3-4,7-9H2,1-2H3
InChIKeyMADKGENCKWKQDZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822325) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822325
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23N3O/c1-3-18-16(9-13-11-19-20(4-2)12-13)14-5-6-17-15(10-14)7-8-21-17/h5-6,10-12,16,18H,3-4,7-9H2,1-2H3
InChIKeyMADKGENCKWKQDZ-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822325) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(CC)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is MADKGENCKWKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-16(9-13-11-19-20(4-2)12-13)14-5-6-17-15(10-14)7-8-21-17/h5-6,10-12,16,18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).