4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline

C16H11BrINO — CID 66093379

IUPAC4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
SMILESNc1ccc(Oc2ccc3cc(Br)ccc3c2)c(I)c1
InChIInChI=1S/C16H11BrINO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2
InChIKeyRVGMRAJCAOEETD-UHFFFAOYSA-N
MW440.08 g/mol
LogP5.58
Rot. Bonds2

About 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline

4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline (PubChem CID 66093379) has the molecular formula C16H11BrINO and a molecular weight of 440.08 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
PubChem CID66093379
Molecular FormulaC16H11BrINO
Molecular Weight440.08 g/mol
Exact Mass438.91
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
SMILESNc1ccc(Oc2ccc3cc(Br)ccc3c2)c(I)c1
InChIInChI=1S/C16H11BrINO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2
InChIKeyRVGMRAJCAOEETD-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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Related Compounds

4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
3-iodo-4-quinolin-3-yloxyaniline
CID 107386952
3-iodo-4-(4-methylsulfonylphenoxy)aniline
CID 66095645
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
2-bromonaphthalene;naphthalen-2-amine
CID 173256216

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline (CID 66093379) is 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline is Nc1ccc(Oc2ccc3cc(Br)ccc3c2)c(I)c1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline?
The InChIKey is RVGMRAJCAOEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrINO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline?
4-(6-bromonaphthalen-2-yl)oxy-3-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 4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline is sourced from PubChem (CID 66093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).