1-(2,4-dimethoxyphenyl)-N-methylmethanimine

C10H13NO2 — CID 518060

IUPAC1-(2,4-dimethoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1ccc(OC)cc1OC
InChIInChI=1S/C10H13NO2/c1-11-7-8-4-5-9(12-2)6-10(8)13-3/h4-7H,1-3H3/b11-7+
InChIKeySPJUMWVQDOLAGD-YRNVUSSQSA-N
MW179.22 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)-N-methylmethanimine

1-(2,4-dimethoxyphenyl)-N-methylmethanimine (PubChem CID 518060) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methylmethanimine
PubChem CID518060
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1ccc(OC)cc1OC
InChIInChI=1S/C10H13NO2/c1-11-7-8-4-5-9(12-2)6-10(8)13-3/h4-7H,1-3H3/b11-7+
InChIKeySPJUMWVQDOLAGD-YRNVUSSQSA-N
XLogP1.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.75
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

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 3798775
(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 5413886
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
(E)-(2,4-dimethoxyphenyl)methylidene-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-ethylazanium tetrafluoroborate
CID 45050315
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 7728702

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylmethanimine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylmethanimine (CID 518060) is 1-(2,4-dimethoxyphenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methylmethanimine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methylmethanimine is C/N=C/c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methylmethanimine?
The InChIKey is SPJUMWVQDOLAGD-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-7-8-4-5-9(12-2)6-10(8)13-3/h4-7H,1-3H3/b11-7+.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methylmethanimine?
1-(2,4-dimethoxyphenyl)-N-methylmethanimine has a molecular weight of 179.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methylmethanimine is sourced from PubChem (CID 518060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).