2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine

C17H15N3O — CID 115604905

IUPAC2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc2nccnc2c1
InChIInChI=1S/C17H15N3O/c18-17(12-2-4-16-11(9-12)5-8-21-16)13-1-3-14-15(10-13)20-7-6-19-14/h1-4,6-7,9-10,17H,5,8,18H2
InChIKeyZBXHEDSGNKCDLR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.61
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine

2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine (PubChem CID 115604905) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
PubChem CID115604905
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc2nccnc2c1
InChIInChI=1S/C17H15N3O/c18-17(12-2-4-16-11(9-12)5-8-21-16)13-1-3-14-15(10-13)20-7-6-19-14/h1-4,6-7,9-10,17H,5,8,18H2
InChIKeyZBXHEDSGNKCDLR-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 104542596
(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104542750
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine (CID 115604905) is 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1ccc2nccnc2c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine?
The InChIKey is ZBXHEDSGNKCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(12-2-4-16-11(9-12)5-8-21-16)13-1-3-14-15(10-13)20-7-6-19-14/h1-4,6-7,9-10,17H,5,8,18H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine?
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine has a molecular weight of 277.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine is sourced from PubChem (CID 115604905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).