2,3,6,7-tetrahydrodibenzofuran-1-amine

C12H13NO — CID 139334578

IUPAC2,3,6,7-tetrahydrodibenzofuran-1-amine
SMILESNC1=c2c3c(oc2=CCC1)CCC=C3
InChIInChI=1S/C12H13NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1,4,7H,2-3,5-6,13H2
InChIKeyPKBYQUCCVIAGFS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.88
Rot. Bonds

About 2,3,6,7-tetrahydrodibenzofuran-1-amine

2,3,6,7-tetrahydrodibenzofuran-1-amine (PubChem CID 139334578) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,3,6,7-tetrahydrodibenzofuran-1-amine.

Molecular Properties

Compound Name2,3,6,7-tetrahydrodibenzofuran-1-amine
PubChem CID139334578
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,3,6,7-tetrahydrodibenzofuran-1-amine
SMILESNC1=c2c3c(oc2=CCC1)CCC=C3
InChIInChI=1S/C12H13NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1,4,7H,2-3,5-6,13H2
InChIKeyPKBYQUCCVIAGFS-UHFFFAOYSA-N
XLogP0.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,6,7-tetrahydrodibenzofuran-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1H-cyclohepta[b][1]benzofuran-2-amine
CID 21221548
4-Cyclohexa-1,5-dien-1-yloxycyclohexa-1,3-dien-1-amine
CID 68200173
5-Cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine
CID 89073798
2-(3-Methylbuta-1,3-dien-2-yloxy)cyclohexa-1,5-dien-1-amine
CID 134354789
2H-cyclopenta[g][1]benzofuran-5-amine
CID 141105006
2-Methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine
CID 144761129
2-ethenyl-3-[(Z)-prop-1-enyl]-5,6-dihydro-1-benzofuran-7-amine
CID 169594675
3-Ethyl-2-methoxycyclohexa-1,3-dien-1-amine
CID 173047780

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydrodibenzofuran-1-amine?
The IUPAC name of 2,3,6,7-tetrahydrodibenzofuran-1-amine (CID 139334578) is 2,3,6,7-tetrahydrodibenzofuran-1-amine.
What is the SMILES notation for 2,3,6,7-tetrahydrodibenzofuran-1-amine?
The canonical SMILES for 2,3,6,7-tetrahydrodibenzofuran-1-amine is NC1=c2c3c(oc2=CCC1)CCC=C3.
What is the InChIKey of 2,3,6,7-tetrahydrodibenzofuran-1-amine?
The InChIKey is PKBYQUCCVIAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1,4,7H,2-3,5-6,13H2.
What are the key properties of 2,3,6,7-tetrahydrodibenzofuran-1-amine?
2,3,6,7-tetrahydrodibenzofuran-1-amine has a molecular weight of 187.24 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydrodibenzofuran-1-amine is sourced from PubChem (CID 139334578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).