5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline

C16H11BrClNO — CID 26190495

IUPAC5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
SMILESNc1cc(Br)ccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-10-5-7-16(14(19)9-10)20-15-8-6-13(18)11-3-1-2-4-12(11)15/h1-9H,19H2
InChIKeyGRURLDGCDDNEDD-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.63
Rot. Bonds2

About 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline

5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline (PubChem CID 26190495) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline.

Molecular Properties

Compound Name5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
PubChem CID26190495
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
SMILESNc1cc(Br)ccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-10-5-7-16(14(19)9-10)20-15-8-6-13(18)11-3-1-2-4-12(11)15/h1-9H,19H2
InChIKeyGRURLDGCDDNEDD-UHFFFAOYSA-N
XLogP5.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
CID 63675956
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
CID 61147725
5-bromo-2-(2,3-dimethylphenoxy)aniline
CID 26190424
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene
CID 107087825
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline?
The IUPAC name of 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline (CID 26190495) is 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline.
What is the SMILES notation for 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline?
The canonical SMILES for 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline is Nc1cc(Br)ccc1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline?
The InChIKey is GRURLDGCDDNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-10-5-7-16(14(19)9-10)20-15-8-6-13(18)11-3-1-2-4-12(11)15/h1-9H,19H2.
What are the key properties of 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline?
5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline has a molecular weight of 348.63 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline is sourced from PubChem (CID 26190495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).