N'-(4-bromo-2-methoxyphenyl)methanimidamide

C8H9BrN2O — CID 146286613

IUPACN'-(4-bromo-2-methoxyphenyl)methanimidamide
SMILESCOc1cc(Br)ccc1/N=C/N
InChIInChI=1S/C8H9BrN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-5H,1H3,(H2,10,11)
InChIKeyVDHPYQKVJAUWEA-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.08
Rot. Bonds2

About N'-(4-bromo-2-methoxyphenyl)methanimidamide

N'-(4-bromo-2-methoxyphenyl)methanimidamide (PubChem CID 146286613) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N'-(4-bromo-2-methoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methoxyphenyl)methanimidamide
PubChem CID146286613
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN'-(4-bromo-2-methoxyphenyl)methanimidamide
SMILESCOc1cc(Br)ccc1/N=C/N
InChIInChI=1S/C8H9BrN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-5H,1H3,(H2,10,11)
InChIKeyVDHPYQKVJAUWEA-UHFFFAOYSA-N
XLogP2.08
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methoxyphenyl)methanimidamide?
The IUPAC name of N'-(4-bromo-2-methoxyphenyl)methanimidamide (CID 146286613) is N'-(4-bromo-2-methoxyphenyl)methanimidamide.
What is the SMILES notation for N'-(4-bromo-2-methoxyphenyl)methanimidamide?
The canonical SMILES for N'-(4-bromo-2-methoxyphenyl)methanimidamide is COc1cc(Br)ccc1/N=C/N.
What is the InChIKey of N'-(4-bromo-2-methoxyphenyl)methanimidamide?
The InChIKey is VDHPYQKVJAUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-5H,1H3,(H2,10,11).
What are the key properties of N'-(4-bromo-2-methoxyphenyl)methanimidamide?
N'-(4-bromo-2-methoxyphenyl)methanimidamide has a molecular weight of 229.08 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methoxyphenyl)methanimidamide is sourced from PubChem (CID 146286613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).