1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine

C10H12BrNO2 — CID 143939244

IUPAC1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C10H12BrNO2/c1-12-6-7-4-8(13-2)10(11)9(5-7)14-3/h4-6H,1-3H3/b12-6+
InChIKeyGKBLOLJVGZEEJS-WUXMJOGZSA-N
MW258.11 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine

1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine (PubChem CID 143939244) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine
PubChem CID143939244
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C10H12BrNO2/c1-12-6-7-4-8(13-2)10(11)9(5-7)14-3/h4-6H,1-3H3/b12-6+
InChIKeyGKBLOLJVGZEEJS-WUXMJOGZSA-N
XLogP2.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-3,5-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456373
4-bromo-3,5-dimethoxyphenol
CID 14339099
(E)-3-(4-bromo-3,5-dimethoxyphenyl)prop-2-enamide
CID 170876558
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
CID 110507338
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135804345
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
CID 171131966
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135683422

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine?
The IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine (CID 143939244) is 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine?
The canonical SMILES for 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine is C/N=C/c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine?
The InChIKey is GKBLOLJVGZEEJS-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12-6-7-4-8(13-2)10(11)9(5-7)14-3/h4-6H,1-3H3/b12-6+.
What are the key properties of 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine?
1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine has a molecular weight of 258.11 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine is sourced from PubChem (CID 143939244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).