6-methyl-7,8-dihydrodibenzofuran-3-amine

C13H13NO — CID 166777015

IUPAC6-methyl-7,8-dihydrodibenzofuran-3-amine
SMILESCC1=c2oc3cc(N)ccc3c2=CCC1
InChIInChI=1S/C13H13NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h4-7H,2-3,14H2,1H3
InChIKeyZYYRZKGQCDIOPN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.76
Rot. Bonds

About 6-methyl-7,8-dihydrodibenzofuran-3-amine

6-methyl-7,8-dihydrodibenzofuran-3-amine (PubChem CID 166777015) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-methyl-7,8-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound Name6-methyl-7,8-dihydrodibenzofuran-3-amine
PubChem CID166777015
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6-methyl-7,8-dihydrodibenzofuran-3-amine
SMILESCC1=c2oc3cc(N)ccc3c2=CCC1
InChIInChI=1S/C13H13NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h4-7H,2-3,14H2,1H3
InChIKeyZYYRZKGQCDIOPN-UHFFFAOYSA-N
XLogP1.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-7,8-dihydrodibenzofuran-3-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 6-methyl-7,8-dihydrodibenzofuran-3-amine?
The IUPAC name of 6-methyl-7,8-dihydrodibenzofuran-3-amine (CID 166777015) is 6-methyl-7,8-dihydrodibenzofuran-3-amine.
What is the SMILES notation for 6-methyl-7,8-dihydrodibenzofuran-3-amine?
The canonical SMILES for 6-methyl-7,8-dihydrodibenzofuran-3-amine is CC1=c2oc3cc(N)ccc3c2=CCC1.
What is the InChIKey of 6-methyl-7,8-dihydrodibenzofuran-3-amine?
The InChIKey is ZYYRZKGQCDIOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-3-2-4-11-10-6-5-9(14)7-12(10)15-13(8)11/h4-7H,2-3,14H2,1H3.
What are the key properties of 6-methyl-7,8-dihydrodibenzofuran-3-amine?
6-methyl-7,8-dihydrodibenzofuran-3-amine has a molecular weight of 199.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 166777015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).