2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline

C16H11BrFNO — CID 63456931

IUPAC2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-9-13(18)4-6-15(16)19/h1-9H,19H2
InChIKeyFTUBDQOKTGDWQA-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.12
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline

2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline (PubChem CID 63456931) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
PubChem CID63456931
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-9-13(18)4-6-15(16)19/h1-9H,19H2
InChIKeyFTUBDQOKTGDWQA-UHFFFAOYSA-N
XLogP5.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.12
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

2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline
CID 63456775
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline (CID 63456931) is 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline is Nc1ccc(F)cc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline?
The InChIKey is FTUBDQOKTGDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-9-13(18)4-6-15(16)19/h1-9H,19H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline?
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline has a molecular weight of 332.17 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline is sourced from PubChem (CID 63456931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).