4,4a-dihydrodibenzofuran-3-amine

C12H11NO — CID 152888899

IUPAC4,4a-dihydrodibenzofuran-3-amine
SMILESNC1=CC=C2c3ccccc3OC2C1
InChIInChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-6,12H,7,13H2
InChIKeyUDBCHLRKVTUJND-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.08
Rot. Bonds

About 4,4a-dihydrodibenzofuran-3-amine

4,4a-dihydrodibenzofuran-3-amine (PubChem CID 152888899) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4,4a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound Name4,4a-dihydrodibenzofuran-3-amine
PubChem CID152888899
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4,4a-dihydrodibenzofuran-3-amine
SMILESNC1=CC=C2c3ccccc3OC2C1
InChIInChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-6,12H,7,13H2
InChIKeyUDBCHLRKVTUJND-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
1,11a-dihydrobenzo[b][1]benzoxepine-2,4-diamine
CID 163198690
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 5399086
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
2-cyclohexa-1,3-dien-1-yl-2,3-dihydrochromen-4-one
CID 163729895
2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171762111
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4,4a-dihydrodibenzofuran-3-amine
CID 170140186
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390

Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydrodibenzofuran-3-amine?
The IUPAC name of 4,4a-dihydrodibenzofuran-3-amine (CID 152888899) is 4,4a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for 4,4a-dihydrodibenzofuran-3-amine?
The canonical SMILES for 4,4a-dihydrodibenzofuran-3-amine is NC1=CC=C2c3ccccc3OC2C1.
What is the InChIKey of 4,4a-dihydrodibenzofuran-3-amine?
The InChIKey is UDBCHLRKVTUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-6,12H,7,13H2.
What are the key properties of 4,4a-dihydrodibenzofuran-3-amine?
4,4a-dihydrodibenzofuran-3-amine has a molecular weight of 185.23 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 152888899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).