5-methoxy-N-methyl-2-(methylideneamino)aniline

C9H12N2O — CID 143659024

IUPAC5-methoxy-N-methyl-2-(methylideneamino)aniline
SMILESC=Nc1ccc(OC)cc1NC
InChIInChI=1S/C9H12N2O/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6,11H,1H2,2-3H3
InChIKeyFZMAXSZRYBHWDT-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.07
Rot. Bonds3

About 5-methoxy-N-methyl-2-(methylideneamino)aniline

5-methoxy-N-methyl-2-(methylideneamino)aniline (PubChem CID 143659024) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2-(methylideneamino)aniline.

Molecular Properties

Compound Name5-methoxy-N-methyl-2-(methylideneamino)aniline
PubChem CID143659024
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methoxy-N-methyl-2-(methylideneamino)aniline
SMILESC=Nc1ccc(OC)cc1NC
InChIInChI=1S/C9H12N2O/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6,11H,1H2,2-3H3
InChIKeyFZMAXSZRYBHWDT-UHFFFAOYSA-N
XLogP2.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(methylideneamino)aniline
CID 163228388
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
2-iodo-4-methoxy-N-methylaniline
CID 11010799
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
CID 168886662
5-methoxy-2-(methylamino)benzamide
CID 66991664
5-methoxy-N,2,3-trimethylaniline
CID 123380294

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-2-(methylideneamino)aniline?
The IUPAC name of 5-methoxy-N-methyl-2-(methylideneamino)aniline (CID 143659024) is 5-methoxy-N-methyl-2-(methylideneamino)aniline.
What is the SMILES notation for 5-methoxy-N-methyl-2-(methylideneamino)aniline?
The canonical SMILES for 5-methoxy-N-methyl-2-(methylideneamino)aniline is C=Nc1ccc(OC)cc1NC.
What is the InChIKey of 5-methoxy-N-methyl-2-(methylideneamino)aniline?
The InChIKey is FZMAXSZRYBHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-8-5-4-7(12-3)6-9(8)11-2/h4-6,11H,1H2,2-3H3.
What are the key properties of 5-methoxy-N-methyl-2-(methylideneamino)aniline?
5-methoxy-N-methyl-2-(methylideneamino)aniline has a molecular weight of 164.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-2-(methylideneamino)aniline is sourced from PubChem (CID 143659024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).