2-amino-4-methyl-3-(methyliminomethyl)phenol

C9H12N2O — CID 166076879

IUPAC2-amino-4-methyl-3-(methyliminomethyl)phenol
SMILESC/N=C/c1c(C)ccc(O)c1N
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(12)9(10)7(6)5-11-2/h3-5,12H,10H2,1-2H3/b11-5+
InChIKeyKUMDSAQMWREUQI-VZUCSPMQSA-N
MW164.21 g/mol
LogP1.33
Rot. Bonds1

About 2-amino-4-methyl-3-(methyliminomethyl)phenol

2-amino-4-methyl-3-(methyliminomethyl)phenol (PubChem CID 166076879) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-4-methyl-3-(methyliminomethyl)phenol.

Molecular Properties

Compound Name2-amino-4-methyl-3-(methyliminomethyl)phenol
PubChem CID166076879
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-4-methyl-3-(methyliminomethyl)phenol
SMILESC/N=C/c1c(C)ccc(O)c1N
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(12)9(10)7(6)5-11-2/h3-5,12H,10H2,1-2H3/b11-5+
InChIKeyKUMDSAQMWREUQI-VZUCSPMQSA-N
XLogP1.33
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-3-(methyliminomethyl)phenol?
The IUPAC name of 2-amino-4-methyl-3-(methyliminomethyl)phenol (CID 166076879) is 2-amino-4-methyl-3-(methyliminomethyl)phenol.
What is the SMILES notation for 2-amino-4-methyl-3-(methyliminomethyl)phenol?
The canonical SMILES for 2-amino-4-methyl-3-(methyliminomethyl)phenol is C/N=C/c1c(C)ccc(O)c1N.
What is the InChIKey of 2-amino-4-methyl-3-(methyliminomethyl)phenol?
The InChIKey is KUMDSAQMWREUQI-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-4-8(12)9(10)7(6)5-11-2/h3-5,12H,10H2,1-2H3/b11-5+.
What are the key properties of 2-amino-4-methyl-3-(methyliminomethyl)phenol?
2-amino-4-methyl-3-(methyliminomethyl)phenol has a molecular weight of 164.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-3-(methyliminomethyl)phenol is sourced from PubChem (CID 166076879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).