2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline

C11H15N3O — CID 166130603

IUPAC2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline
SMILES[H]/N=C(\C=N\C)c1c(C)ccc(N)c1OC
InChIInChI=1S/C11H15N3O/c1-7-4-5-8(12)11(15-3)10(7)9(13)6-14-2/h4-6,13H,12H2,1-3H3/b13-9+,14-6+
InChIKeyBTZKHYCAPFWFIU-WSPXSRFVSA-N
MW205.26 g/mol
LogP1.65
Rot. Bonds3

About 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline

2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline (PubChem CID 166130603) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline
PubChem CID166130603
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline
SMILES[H]/N=C(\C=N\C)c1c(C)ccc(N)c1OC
InChIInChI=1S/C11H15N3O/c1-7-4-5-8(12)11(15-3)10(7)9(13)6-14-2/h4-6,13H,12H2,1-3H3/b13-9+,14-6+
InChIKeyBTZKHYCAPFWFIU-WSPXSRFVSA-N
XLogP1.65
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline?
The IUPAC name of 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline (CID 166130603) is 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline is [H]/N=C(\C=N\C)c1c(C)ccc(N)c1OC.
What is the InChIKey of 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline?
The InChIKey is BTZKHYCAPFWFIU-WSPXSRFVSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-5-8(12)11(15-3)10(7)9(13)6-14-2/h4-6,13H,12H2,1-3H3/b13-9+,14-6+.
What are the key properties of 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline?
2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline has a molecular weight of 205.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline is sourced from PubChem (CID 166130603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).