4-(aminomethyl)-5-methyl-1-benzofuran-7-amine

C10H12N2O — CID 166848897

IUPAC4-(aminomethyl)-5-methyl-1-benzofuran-7-amine
SMILESCc1cc(N)c2occc2c1CN
InChIInChI=1S/C10H12N2O/c1-6-4-9(12)10-7(2-3-13-10)8(6)5-11/h2-4H,5,11-12H2,1H3
InChIKeyOEKURMKGEYQEHC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.78
Rot. Bonds1

About 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine

4-(aminomethyl)-5-methyl-1-benzofuran-7-amine (PubChem CID 166848897) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-1-benzofuran-7-amine
PubChem CID166848897
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-(aminomethyl)-5-methyl-1-benzofuran-7-amine
SMILESCc1cc(N)c2occc2c1CN
InChIInChI=1S/C10H12N2O/c1-6-4-9(12)10-7(2-3-13-10)8(6)5-11/h2-4H,5,11-12H2,1H3
InChIKeyOEKURMKGEYQEHC-UHFFFAOYSA-N
XLogP1.78
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(aminomethyl)-5-methyl-1-benzofuran-7-amine?
The IUPAC name of 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine (CID 166848897) is 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine?
The canonical SMILES for 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine is Cc1cc(N)c2occc2c1CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine?
The InChIKey is OEKURMKGEYQEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-9(12)10-7(2-3-13-10)8(6)5-11/h2-4H,5,11-12H2,1H3.
What are the key properties of 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine?
4-(aminomethyl)-5-methyl-1-benzofuran-7-amine has a molecular weight of 176.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-1-benzofuran-7-amine is sourced from PubChem (CID 166848897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).