5-methanimidoyl-2-methoxy-4-methylaniline

C9H12N2O — CID 143227854

IUPAC5-methanimidoyl-2-methoxy-4-methylaniline
SMILES[H]/N=C/c1cc(N)c(OC)cc1C
InChIInChI=1S/C9H12N2O/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,10H,11H2,1-2H3/b10-5+
InChIKeyXLVNRZHVDQIPNR-BJMVGYQFSA-N
MW164.21 g/mol
LogP1.58
Rot. Bonds2

About 5-methanimidoyl-2-methoxy-4-methylaniline

5-methanimidoyl-2-methoxy-4-methylaniline (PubChem CID 143227854) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methanimidoyl-2-methoxy-4-methylaniline.

Molecular Properties

Compound Name5-methanimidoyl-2-methoxy-4-methylaniline
PubChem CID143227854
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methanimidoyl-2-methoxy-4-methylaniline
SMILES[H]/N=C/c1cc(N)c(OC)cc1C
InChIInChI=1S/C9H12N2O/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,10H,11H2,1-2H3/b10-5+
InChIKeyXLVNRZHVDQIPNR-BJMVGYQFSA-N
XLogP1.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methanimidoyl-4-methylaniline
CID 142987257
2-methanimidoyl-4-methoxyaniline
CID 91224663
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
4-ethyl-2-methanimidoyl-6-methoxyaniline
CID 169265062
4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933
5-bromo-2-methanimidoyl-3-methoxyaniline
CID 130265419
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
2-bromo-6-methanimidoyl-4-methoxyaniline
CID 167075235
2-methanimidoyl-5-(oxan-4-yloxy)benzene-1,4-diamine
CID 144847529
ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-2-methoxy-4-methylaniline?
The IUPAC name of 5-methanimidoyl-2-methoxy-4-methylaniline (CID 143227854) is 5-methanimidoyl-2-methoxy-4-methylaniline.
What is the SMILES notation for 5-methanimidoyl-2-methoxy-4-methylaniline?
The canonical SMILES for 5-methanimidoyl-2-methoxy-4-methylaniline is [H]/N=C/c1cc(N)c(OC)cc1C.
What is the InChIKey of 5-methanimidoyl-2-methoxy-4-methylaniline?
The InChIKey is XLVNRZHVDQIPNR-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,10H,11H2,1-2H3/b10-5+.
What are the key properties of 5-methanimidoyl-2-methoxy-4-methylaniline?
5-methanimidoyl-2-methoxy-4-methylaniline has a molecular weight of 164.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-2-methoxy-4-methylaniline is sourced from PubChem (CID 143227854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).