N'-(2,6-dimethoxyphenyl)methanediimine

C9H10N2O2 — CID 150583990

IUPACN'-(2,6-dimethoxyphenyl)methanediimine
SMILESCOc1cccc(OC)c1N=C=N
InChIInChI=1S/C9H10N2O2/c1-12-7-4-3-5-8(13-2)9(7)11-6-10/h3-5,10H,1-2H3
InChIKeyIOLBXJAEPULZPO-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.09
Rot. Bonds3

About N'-(2,6-dimethoxyphenyl)methanediimine

N'-(2,6-dimethoxyphenyl)methanediimine (PubChem CID 150583990) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N'-(2,6-dimethoxyphenyl)methanediimine.

Molecular Properties

Compound NameN'-(2,6-dimethoxyphenyl)methanediimine
PubChem CID150583990
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN'-(2,6-dimethoxyphenyl)methanediimine
SMILESCOc1cccc(OC)c1N=C=N
InChIInChI=1S/C9H10N2O2/c1-12-7-4-3-5-8(13-2)9(7)11-6-10/h3-5,10H,1-2H3
InChIKeyIOLBXJAEPULZPO-UHFFFAOYSA-N
XLogP2.09
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxyaniline;2-isothiocyanato-1,3-dimethoxybenzene
CID 159333940
2-isocyanato-1-methoxy-3-(trifluoromethyl)benzene
CID 170997128
2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine
CID 102407656
bis(2-methoxyphenyl)diazene
CID 11947
3-methoxy-2-nitrosoaniline;hydrochloride
CID 90401727
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
CID 102002675
CID 102002675
2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
CID 87481977
1-methoxy-2-(sulfinylamino)benzene
CID 598052
2-(2-methoxyphenyl)ethenimine
CID 174865159

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethoxyphenyl)methanediimine?
The IUPAC name of N'-(2,6-dimethoxyphenyl)methanediimine (CID 150583990) is N'-(2,6-dimethoxyphenyl)methanediimine.
What is the SMILES notation for N'-(2,6-dimethoxyphenyl)methanediimine?
The canonical SMILES for N'-(2,6-dimethoxyphenyl)methanediimine is COc1cccc(OC)c1N=C=N.
What is the InChIKey of N'-(2,6-dimethoxyphenyl)methanediimine?
The InChIKey is IOLBXJAEPULZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-4-3-5-8(13-2)9(7)11-6-10/h3-5,10H,1-2H3.
What are the key properties of N'-(2,6-dimethoxyphenyl)methanediimine?
N'-(2,6-dimethoxyphenyl)methanediimine has a molecular weight of 178.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethoxyphenyl)methanediimine is sourced from PubChem (CID 150583990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).