2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline

C16H11BrINO — CID 66081956

IUPAC2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
SMILESNc1cc(I)ccc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H11BrINO/c17-16-12-4-2-1-3-10(12)5-7-15(16)20-14-8-6-11(18)9-13(14)19/h1-9H,19H2
InChIKeyHKMCREBVYOATPV-UHFFFAOYSA-N
MW440.08 g/mol
LogP5.58
Rot. Bonds2

About 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline

2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline (PubChem CID 66081956) has the molecular formula C16H11BrINO and a molecular weight of 440.08 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
PubChem CID66081956
Molecular FormulaC16H11BrINO
Molecular Weight440.08 g/mol
Exact Mass438.91
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
SMILESNc1cc(I)ccc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H11BrINO/c17-16-12-4-2-1-3-10(12)5-7-15(16)20-14-8-6-11(18)9-13(14)19/h1-9H,19H2
InChIKeyHKMCREBVYOATPV-UHFFFAOYSA-N
XLogP5.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.08
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline (CID 66081956) is 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline is Nc1cc(I)ccc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline?
The InChIKey is HKMCREBVYOATPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrINO/c17-16-12-4-2-1-3-10(12)5-7-15(16)20-14-8-6-11(18)9-13(14)19/h1-9H,19H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline?
2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline has a molecular weight of 440.08 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline is sourced from PubChem (CID 66081956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).