3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine

C16H19N3O — CID 65446272

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cnccn1
InChIInChI=1S/C16H19N3O/c1-17-14(15-11-18-7-8-19-15)4-2-12-3-5-16-13(10-12)6-9-20-16/h3,5,7-8,10-11,14,17H,2,4,6,9H2,1H3
InChIKeyFSIPGVFHLYXHSV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 65446272) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID65446272
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cnccn1
InChIInChI=1S/C16H19N3O/c1-17-14(15-11-18-7-8-19-15)4-2-12-3-5-16-13(10-12)6-9-20-16/h3,5,7-8,10-11,14,17H,2,4,6,9H2,1H3
InChIKeyFSIPGVFHLYXHSV-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 79707540
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 65445154
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-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine (CID 65446272) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine is CNC(CCc1ccc2c(c1)CCO2)c1cnccn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is FSIPGVFHLYXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-14(15-11-18-7-8-19-15)4-2-12-3-5-16-13(10-12)6-9-20-16/h3,5,7-8,10-11,14,17H,2,4,6,9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 65446272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).