(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine

C16H15BrFNO3 — CID 9371563

IUPAC(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
SMILESCOc1cc(Br)c(CO/N=C\c2ccccc2F)cc1OC
InChIInChI=1S/C16H15BrFNO3/c1-20-15-7-12(13(17)8-16(15)21-2)10-22-19-9-11-5-3-4-6-14(11)18/h3-9H,10H2,1-2H3/b19-9-
InChIKeyFQQNZOHPLHPOMT-OCKHKDLRSA-N
MW368.20 g/mol
LogP4.16
Rot. Bonds6

About (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine

(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine (PubChem CID 9371563) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
PubChem CID9371563
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
SMILESCOc1cc(Br)c(CO/N=C\c2ccccc2F)cc1OC
InChIInChI=1S/C16H15BrFNO3/c1-20-15-7-12(13(17)8-16(15)21-2)10-22-19-9-11-5-3-4-6-14(11)18/h3-9H,10H2,1-2H3/b19-9-
InChIKeyFQQNZOHPLHPOMT-OCKHKDLRSA-N
XLogP4.16
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7671004
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
CID 9371367
(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
CID 55500944
(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7701469
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
[(Z)-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 126087766
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine?
The IUPAC name of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine (CID 9371563) is (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine.
What is the SMILES notation for (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine?
The canonical SMILES for (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine is COc1cc(Br)c(CO/N=C\c2ccccc2F)cc1OC.
What is the InChIKey of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine?
The InChIKey is FQQNZOHPLHPOMT-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-20-15-7-12(13(17)8-16(15)21-2)10-22-19-9-11-5-3-4-6-14(11)18/h3-9H,10H2,1-2H3/b19-9-.
What are the key properties of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine?
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine has a molecular weight of 368.20 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine is sourced from PubChem (CID 9371563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).