(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine

C17H18BrNO3 — CID 7671004

IUPAC(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
SMILESCOc1cc(C)c(CO/N=C\c2ccccc2Br)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-12-8-16(20-2)17(21-3)9-14(12)11-22-19-10-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3/b19-10-
InChIKeyYYMYBDJFHJVHMZ-GRSHGNNSSA-N
MW364.24 g/mol
LogP4.33
Rot. Bonds6

About (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine

(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine (PubChem CID 7671004) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
PubChem CID7671004
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
SMILESCOc1cc(C)c(CO/N=C\c2ccccc2Br)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-12-8-16(20-2)17(21-3)9-14(12)11-22-19-10-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3/b19-10-
InChIKeyYYMYBDJFHJVHMZ-GRSHGNNSSA-N
XLogP4.33
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.33
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-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7701469
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
CID 9371563
(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
CID 55500944
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 7670810
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
CID 9371367
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
CID 9354666
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
(4,5-dimethoxy-2-methylphenyl)methyl 3-bromobenzoate
CID 7663223
(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485551

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine (CID 7671004) is (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine is COc1cc(C)c(CO/N=C\c2ccccc2Br)cc1OC.
What is the InChIKey of (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The InChIKey is YYMYBDJFHJVHMZ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-12-8-16(20-2)17(21-3)9-14(12)11-22-19-10-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3/b19-10-.
What are the key properties of (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine has a molecular weight of 364.24 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 7671004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).