5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline

C16H11Br2NO — CID 63457779

IUPAC5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
SMILESNc1cc(Br)ccc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H11Br2NO/c17-11-6-8-14(13(19)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)18/h1-9H,19H2
InChIKeyIEFGVLAUSJVWCQ-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.74
Rot. Bonds2

About 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline

5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline (PubChem CID 63457779) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline.

Molecular Properties

Compound Name5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
PubChem CID63457779
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
SMILESNc1cc(Br)ccc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H11Br2NO/c17-11-6-8-14(13(19)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)18/h1-9H,19H2
InChIKeyIEFGVLAUSJVWCQ-UHFFFAOYSA-N
XLogP5.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline?
The IUPAC name of 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline (CID 63457779) is 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline.
What is the SMILES notation for 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline?
The canonical SMILES for 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline is Nc1cc(Br)ccc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline?
The InChIKey is IEFGVLAUSJVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c17-11-6-8-14(13(19)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)18/h1-9H,19H2.
What are the key properties of 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline?
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline has a molecular weight of 393.08 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline is sourced from PubChem (CID 63457779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).