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

C18H20BrNO3 — CID 9371367

IUPAC(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N\OCc2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-4-13-5-7-14(8-6-13)11-20-23-12-15-9-17(21-2)18(22-3)10-16(15)19/h5-11H,4,12H2,1-3H3/b20-11-
InChIKeyPUJOLKGHDQBNGN-JAIQZWGSSA-N
MW378.27 g/mol
LogP4.58
Rot. Bonds7

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

(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine (PubChem CID 9371367) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
PubChem CID9371367
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N\OCc2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-4-13-5-7-14(8-6-13)11-20-23-12-15-9-17(21-2)18(22-3)10-16(15)19/h5-11H,4,12H2,1-3H3/b20-11-
InChIKeyPUJOLKGHDQBNGN-JAIQZWGSSA-N
XLogP4.58
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.58
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)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
CID 9371563
(E)-1-(4-ethylphenyl)-N-methoxymethanimine
CID 89096123
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7671004
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
(E)-N-[(2,5-dimethoxyphenyl)methoxy]-1-[1-[3-[4-[(E)-(2,5-dimethoxyphenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine
CID 11445592
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664
N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 4850797
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854403

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine?
The IUPAC name of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine (CID 9371367) is (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine?
The canonical SMILES for (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine is CCc1ccc(/C=N\OCc2cc(OC)c(OC)cc2Br)cc1.
What is the InChIKey of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine?
The InChIKey is PUJOLKGHDQBNGN-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-13-5-7-14(8-6-13)11-20-23-12-15-9-17(21-2)18(22-3)10-16(15)19/h5-11H,4,12H2,1-3H3/b20-11-.
What are the key properties of (Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine?
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine has a molecular weight of 378.27 g/mol, XLogP of 4.58, 7 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-(4-ethylphenyl)methanimine is sourced from PubChem (CID 9371367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).