1,6,7,9b-tetrahydrodibenzofuran-3-amine

C12H13NO — CID 155396305

IUPAC1,6,7,9b-tetrahydrodibenzofuran-3-amine
SMILESNC1=CCC2C(=C1)OC1=C2C=CCC1
InChIInChI=1S/C12H13NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5,7,10H,2,4,6,13H2
InChIKeyVVVZMJZUYOUZSD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.37
Rot. Bonds

About 1,6,7,9b-tetrahydrodibenzofuran-3-amine

1,6,7,9b-tetrahydrodibenzofuran-3-amine (PubChem CID 155396305) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,6,7,9b-tetrahydrodibenzofuran-3-amine.

Molecular Properties

Compound Name1,6,7,9b-tetrahydrodibenzofuran-3-amine
PubChem CID155396305
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,6,7,9b-tetrahydrodibenzofuran-3-amine
SMILESNC1=CCC2C(=C1)OC1=C2C=CCC1
InChIInChI=1S/C12H13NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5,7,10H,2,4,6,13H2
InChIKeyVVVZMJZUYOUZSD-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The IUPAC name of 1,6,7,9b-tetrahydrodibenzofuran-3-amine (CID 155396305) is 1,6,7,9b-tetrahydrodibenzofuran-3-amine.
What is the SMILES notation for 1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The canonical SMILES for 1,6,7,9b-tetrahydrodibenzofuran-3-amine is NC1=CCC2C(=C1)OC1=C2C=CCC1.
What is the InChIKey of 1,6,7,9b-tetrahydrodibenzofuran-3-amine?
The InChIKey is VVVZMJZUYOUZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1,3,5,7,10H,2,4,6,13H2.
What are the key properties of 1,6,7,9b-tetrahydrodibenzofuran-3-amine?
1,6,7,9b-tetrahydrodibenzofuran-3-amine has a molecular weight of 187.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,9b-tetrahydrodibenzofuran-3-amine is sourced from PubChem (CID 155396305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).