2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide

C15H15BrN2O2 — CID 82823793

IUPAC2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-19-12-5-6-13(15(17)18)14(8-12)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKOGXFOMLFYHDCQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.32
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide

2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide (PubChem CID 82823793) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
PubChem CID82823793
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-19-12-5-6-13(15(17)18)14(8-12)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKOGXFOMLFYHDCQ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 82826744
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide (CID 82823793) is 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide?
The InChIKey is KOGXFOMLFYHDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-19-12-5-6-13(15(17)18)14(8-12)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide?
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 82823793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).