5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide

C15H15BrN2O2 — CID 114893227

IUPAC5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C15H15BrN2O2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyBURWOXKVQOLXMB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.92
Rot. Bonds5

About 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide

5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide (PubChem CID 114893227) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
PubChem CID114893227
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C15H15BrN2O2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyBURWOXKVQOLXMB-UHFFFAOYSA-N
XLogP3.92
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 114893362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide (CID 114893227) is 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(OCC)cc1.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide?
The InChIKey is BURWOXKVQOLXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16)9-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide?
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114893227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).