1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine

C9H10BrNO2 — CID 4181314

IUPAC1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
SMILESCON=Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C9H10BrNO2/c1-12-9-4-3-7(5-8(9)10)6-11-13-2/h3-6H,1-2H3
InChIKeyDLVDZHJSNLTAOO-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.44
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine

1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine (PubChem CID 4181314) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
PubChem CID4181314
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
SMILESCON=Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C9H10BrNO2/c1-12-9-4-3-7(5-8(9)10)6-11-13-2/h3-6H,1-2H3
InChIKeyDLVDZHJSNLTAOO-UHFFFAOYSA-N
XLogP2.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
(15R,19R)-17-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 126168776
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5336193
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
2-[[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-(carboxymethyl)amino]acetic acid
CID 110506957
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059893
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
CID 6895451

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine (CID 4181314) is 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine is CON=Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine?
The InChIKey is DLVDZHJSNLTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-12-9-4-3-7(5-8(9)10)6-11-13-2/h3-6H,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine?
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine has a molecular weight of 244.09 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine is sourced from PubChem (CID 4181314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).