4-methyl-1-benzofuran-7-amine

C9H9NO — CID 82229618

IUPAC4-methyl-1-benzofuran-7-amine
SMILESCc1ccc(N)c2occc12
InChIInChI=1S/C9H9NO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,10H2,1H3
InChIKeyWUAGQFBXDOHVGF-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.32
Rot. Bonds

About 4-methyl-1-benzofuran-7-amine

4-methyl-1-benzofuran-7-amine (PubChem CID 82229618) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name4-methyl-1-benzofuran-7-amine
PubChem CID82229618
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-methyl-1-benzofuran-7-amine
SMILESCc1ccc(N)c2occc12
InChIInChI=1S/C9H9NO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,10H2,1H3
InChIKeyWUAGQFBXDOHVGF-UHFFFAOYSA-N
XLogP2.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-benzofuran-7-amine?
The IUPAC name of 4-methyl-1-benzofuran-7-amine (CID 82229618) is 4-methyl-1-benzofuran-7-amine.
What is the SMILES notation for 4-methyl-1-benzofuran-7-amine?
The canonical SMILES for 4-methyl-1-benzofuran-7-amine is Cc1ccc(N)c2occc12.
What is the InChIKey of 4-methyl-1-benzofuran-7-amine?
The InChIKey is WUAGQFBXDOHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,10H2,1H3.
What are the key properties of 4-methyl-1-benzofuran-7-amine?
4-methyl-1-benzofuran-7-amine has a molecular weight of 147.18 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-benzofuran-7-amine is sourced from PubChem (CID 82229618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).