3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine

C15H15NO — CID 149116016

IUPAC3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCC1COc2c(N)cc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3
InChIKeyQYJRHNJHGMUOEE-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.43
Rot. Bonds1

About 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine

3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 149116016) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine
PubChem CID149116016
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCC1COc2c(N)cc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3
InChIKeyQYJRHNJHGMUOEE-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine (CID 149116016) is 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine is CC1COc2c(N)cc(-c3ccccc3)cc21.
What is the InChIKey of 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is QYJRHNJHGMUOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine?
3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 225.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 149116016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).