1-benzofuran-3-amine

C8H7NO — CID 18373424

IUPAC1-benzofuran-3-amine
SMILESNc1coc2ccccc12
InChIInChI=1S/C8H7NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H,9H2
InChIKeyXZYWHOBAUVAMDI-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.02
Rot. Bonds

About 1-benzofuran-3-amine

1-benzofuran-3-amine (PubChem CID 18373424) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-benzofuran-3-amine.

Molecular Properties

Compound Name1-benzofuran-3-amine
PubChem CID18373424
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name1-benzofuran-3-amine
SMILESNc1coc2ccccc12
InChIInChI=1S/C8H7NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H,9H2
InChIKeyXZYWHOBAUVAMDI-UHFFFAOYSA-N
XLogP2.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
1-benzofuran-3-ol;methane
CID 175138306
chromeno[4,3-c]pyrazol-3-amine
CID 12540550
N-(1-benzofuran-3-ylsulfanyl)hydroxylamine
CID 137418100
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
2-(1-benzofuran-3-yl)-6-chloroaniline
CID 152976809
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
CID 143974471
CID 143974471
3-benzhydryl-1-benzofuran
CID 53493031
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-amine?
The IUPAC name of 1-benzofuran-3-amine (CID 18373424) is 1-benzofuran-3-amine.
What is the SMILES notation for 1-benzofuran-3-amine?
The canonical SMILES for 1-benzofuran-3-amine is Nc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-amine?
The InChIKey is XZYWHOBAUVAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H,9H2.
What are the key properties of 1-benzofuran-3-amine?
1-benzofuran-3-amine has a molecular weight of 133.15 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-amine is sourced from PubChem (CID 18373424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).