4,7-dimethyl-1-benzofuran-5-amine

C10H11NO — CID 45122665

IUPAC4,7-dimethyl-1-benzofuran-5-amine
SMILESCc1c(N)cc(C)c2occc12
InChIInChI=1S/C10H11NO/c1-6-5-9(11)7(2)8-3-4-12-10(6)8/h3-5H,11H2,1-2H3
InChIKeyQJBUJMSRJUEAHG-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.63
Rot. Bonds

About 4,7-dimethyl-1-benzofuran-5-amine

4,7-dimethyl-1-benzofuran-5-amine (PubChem CID 45122665) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4,7-dimethyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name4,7-dimethyl-1-benzofuran-5-amine
PubChem CID45122665
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4,7-dimethyl-1-benzofuran-5-amine
SMILESCc1c(N)cc(C)c2occc12
InChIInChI=1S/C10H11NO/c1-6-5-9(11)7(2)8-3-4-12-10(6)8/h3-5H,11H2,1-2H3
InChIKeyQJBUJMSRJUEAHG-UHFFFAOYSA-N
XLogP2.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.63
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 4,7-dimethyl-1-benzofuran-5-amine?
The IUPAC name of 4,7-dimethyl-1-benzofuran-5-amine (CID 45122665) is 4,7-dimethyl-1-benzofuran-5-amine.
What is the SMILES notation for 4,7-dimethyl-1-benzofuran-5-amine?
The canonical SMILES for 4,7-dimethyl-1-benzofuran-5-amine is Cc1c(N)cc(C)c2occc12.
What is the InChIKey of 4,7-dimethyl-1-benzofuran-5-amine?
The InChIKey is QJBUJMSRJUEAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-5-9(11)7(2)8-3-4-12-10(6)8/h3-5H,11H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-benzofuran-5-amine?
4,7-dimethyl-1-benzofuran-5-amine has a molecular weight of 161.20 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-benzofuran-5-amine is sourced from PubChem (CID 45122665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).