(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine

C17H18BrNO4 — CID 9354666

IUPAC(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
SMILESCOc1ccc(CO/N=C\c2cccc(OC)c2OC)cc1Br
InChIInChI=1S/C17H18BrNO4/c1-20-15-8-7-12(9-14(15)18)11-23-19-10-13-5-4-6-16(21-2)17(13)22-3/h4-10H,11H2,1-3H3/b19-10-
InChIKeyZUUASRSVAKQOCR-GRSHGNNSSA-N
MW380.24 g/mol
LogP4.03
Rot. Bonds7

About (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine

(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine (PubChem CID 9354666) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
PubChem CID9354666
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
SMILESCOc1ccc(CO/N=C\c2cccc(OC)c2OC)cc1Br
InChIInChI=1S/C17H18BrNO4/c1-20-15-8-7-12(9-14(15)18)11-23-19-10-13-5-4-6-16(21-2)17(13)22-3/h4-10H,11H2,1-3H3/b19-10-
InChIKeyZUUASRSVAKQOCR-GRSHGNNSSA-N
XLogP4.03
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 7704176
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
(Z)-1-(2,3-dimethoxyphenyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]methanimine
CID 9354663
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7704038
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2435222
(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7671004
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine (CID 9354666) is (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine is COc1ccc(CO/N=C\c2cccc(OC)c2OC)cc1Br.
What is the InChIKey of (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine?
The InChIKey is ZUUASRSVAKQOCR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-20-15-8-7-12(9-14(15)18)11-23-19-10-13-5-4-6-16(21-2)17(13)22-3/h4-10H,11H2,1-3H3/b19-10-.
What are the key properties of (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine?
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine has a molecular weight of 380.24 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine is sourced from PubChem (CID 9354666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).