1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane

C11H16BrNO — CID 144695745

IUPAC1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane
SMILESCC.CON=Cc1c(C)cccc1Br
InChIInChI=1S/C9H10BrNO.C2H6/c1-7-4-3-5-9(10)8(7)6-11-12-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyXKPXHQMIYNZMHP-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.76
Rot. Bonds2

About 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane

1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane (PubChem CID 144695745) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane.

Molecular Properties

Compound Name1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane
PubChem CID144695745
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane
SMILESCC.CON=Cc1c(C)cccc1Br
InChIInChI=1S/C9H10BrNO.C2H6/c1-7-4-3-5-9(10)8(7)6-11-12-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyXKPXHQMIYNZMHP-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-(3-bromophenyl) propanal oxime
CID 163196897
[C(E)]-2-Bromo-6-fluorobenzaldehyde O-methyloxime
CID 11975120
1-(2-Fluoro-5-bromophenyl)-N-methoxymethanimine
CID 11977253
1-(2-bromophenyl)-N-methoxymethanimine
CID 73877975
(E)-8-bromo-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 132230012
(E)-1-(3-bromo-4-fluorophenyl)-N-methoxymethanimine
CID 21947381
3-Bromo-4-fluorobenzaldehyde o-methyloxime
CID 73855553
2-(2-bromo-4-fluorophenyl)-N-methoxyethanimine
CID 88163089
(E)-1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
CID 134189359
(Z)-1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
CID 139368452
1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
CID 142751279
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine;ethane
CID 162441268

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane?
The IUPAC name of 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane (CID 144695745) is 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane.
What is the SMILES notation for 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane?
The canonical SMILES for 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane is CC.CON=Cc1c(C)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane?
The InChIKey is XKPXHQMIYNZMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.C2H6/c1-7-4-3-5-9(10)8(7)6-11-12-2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane?
1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane has a molecular weight of 258.16 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methylphenyl)-N-methoxymethanimine;ethane is sourced from PubChem (CID 144695745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).