2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide

C17H13BrN2O — CID 114883946

IUPAC2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H13BrN2O/c18-13-8-4-10-15(16(13)17(19)20)21-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H3,19,20)
InChIKeyZCWKURPVGLOABF-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.68
Rot. Bonds3

About 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide

2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide (PubChem CID 114883946) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
PubChem CID114883946
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H13BrN2O/c18-13-8-4-10-15(16(13)17(19)20)21-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H3,19,20)
InChIKeyZCWKURPVGLOABF-UHFFFAOYSA-N
XLogP4.68
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide (CID 114883946) is 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Oc1cccc2ccccc12.
What is the InChIKey of 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide?
The InChIKey is ZCWKURPVGLOABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-13-8-4-10-15(16(13)17(19)20)21-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H3,19,20).
What are the key properties of 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide?
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide has a molecular weight of 341.21 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide is sourced from PubChem (CID 114883946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).