N-phenyldibenzofuran-1-amine

C18H13NO — CID 71079236

IUPACN-phenyldibenzofuran-1-amine
SMILESc1ccc(Nc2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H13NO/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H
InChIKeyACBWMRLJWKZADU-UHFFFAOYSA-N
MW259.31 g/mol
LogP5.33
Rot. Bonds2

About N-phenyldibenzofuran-1-amine

N-phenyldibenzofuran-1-amine (PubChem CID 71079236) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyldibenzofuran-1-amine
PubChem CID71079236
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC NameN-phenyldibenzofuran-1-amine
SMILESc1ccc(Nc2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H13NO/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H
InChIKeyACBWMRLJWKZADU-UHFFFAOYSA-N
XLogP5.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyldibenzofuran-1-amine?
The IUPAC name of N-phenyldibenzofuran-1-amine (CID 71079236) is N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-phenyldibenzofuran-1-amine is c1ccc(Nc2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-phenyldibenzofuran-1-amine?
The InChIKey is ACBWMRLJWKZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H.
What are the key properties of N-phenyldibenzofuran-1-amine?
N-phenyldibenzofuran-1-amine has a molecular weight of 259.31 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 71079236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).