2-methanimidoyl-4-methoxyaniline

C8H10N2O — CID 91224663

IUPAC2-methanimidoyl-4-methoxyaniline
SMILES[H]/N=C/c1cc(OC)ccc1N
InChIInChI=1S/C8H10N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,9H,10H2,1H3/b9-5+
InChIKeyMNXZVLPCYHKJMU-WEVVVXLNSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds2

About 2-methanimidoyl-4-methoxyaniline

2-methanimidoyl-4-methoxyaniline (PubChem CID 91224663) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methanimidoyl-4-methoxyaniline.

Molecular Properties

Compound Name2-methanimidoyl-4-methoxyaniline
PubChem CID91224663
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methanimidoyl-4-methoxyaniline
SMILES[H]/N=C/c1cc(OC)ccc1N
InChIInChI=1S/C8H10N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,9H,10H2,1H3/b9-5+
InChIKeyMNXZVLPCYHKJMU-WEVVVXLNSA-N
XLogP1.28
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.28
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

ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
2-methanimidoyl-5-methoxybenzenethiol
CID 142393171
4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline
CID 144697391
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
2-bromo-6-methanimidoyl-4-methoxyaniline
CID 167075235
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
ethane;2-methanimidoyl-4-nitroaniline
CID 168895735
2-methanimidoyl-4-N-[6-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 144828637
2-dimethylphosphanyl-4-methoxyaniline
CID 164564121
2-fluoro-4-methoxyaniline
CID 3756383
2-iodo-5-methoxyaniline
CID 11139508

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-methoxyaniline?
The IUPAC name of 2-methanimidoyl-4-methoxyaniline (CID 91224663) is 2-methanimidoyl-4-methoxyaniline.
What is the SMILES notation for 2-methanimidoyl-4-methoxyaniline?
The canonical SMILES for 2-methanimidoyl-4-methoxyaniline is [H]/N=C/c1cc(OC)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-methoxyaniline?
The InChIKey is MNXZVLPCYHKJMU-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,9H,10H2,1H3/b9-5+.
What are the key properties of 2-methanimidoyl-4-methoxyaniline?
2-methanimidoyl-4-methoxyaniline has a molecular weight of 150.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-methoxyaniline is sourced from PubChem (CID 91224663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).