4-methyl-1,3-dihydro-2-benzofuran-5-amine

C9H11NO — CID 55283822

IUPAC4-methyl-1,3-dihydro-2-benzofuran-5-amine
SMILESCc1c(N)ccc2c1COC2
InChIInChI=1S/C9H11NO/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3H,4-5,10H2,1H3
InChIKeyQMUNGVHKZHNRLG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.61
Rot. Bonds

About 4-methyl-1,3-dihydro-2-benzofuran-5-amine

4-methyl-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 55283822) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound Name4-methyl-1,3-dihydro-2-benzofuran-5-amine
PubChem CID55283822
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-1,3-dihydro-2-benzofuran-5-amine
SMILESCc1c(N)ccc2c1COC2
InChIInChI=1S/C9H11NO/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3H,4-5,10H2,1H3
InChIKeyQMUNGVHKZHNRLG-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.61
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-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of 4-methyl-1,3-dihydro-2-benzofuran-5-amine (CID 55283822) is 4-methyl-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for 4-methyl-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for 4-methyl-1,3-dihydro-2-benzofuran-5-amine is Cc1c(N)ccc2c1COC2.
What is the InChIKey of 4-methyl-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is QMUNGVHKZHNRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3H,4-5,10H2,1H3.
What are the key properties of 4-methyl-1,3-dihydro-2-benzofuran-5-amine?
4-methyl-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 149.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 55283822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).