(3-amino-4-methanimidoyl-2-methylphenyl)methanol

C9H12N2O — CID 166097156

IUPAC(3-amino-4-methanimidoyl-2-methylphenyl)methanol
SMILES[H]/N=C/c1ccc(CO)c(C)c1N
InChIInChI=1S/C9H12N2O/c1-6-8(5-12)3-2-7(4-10)9(6)11/h2-4,10,12H,5,11H2,1H3/b10-4+
InChIKeyRTGLOPNSHNLYHV-ONNFQVAWSA-N
MW164.21 g/mol
LogP1.07
Rot. Bonds2

About (3-amino-4-methanimidoyl-2-methylphenyl)methanol

(3-amino-4-methanimidoyl-2-methylphenyl)methanol (PubChem CID 166097156) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3-amino-4-methanimidoyl-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-methanimidoyl-2-methylphenyl)methanol
PubChem CID166097156
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3-amino-4-methanimidoyl-2-methylphenyl)methanol
SMILES[H]/N=C/c1ccc(CO)c(C)c1N
InChIInChI=1S/C9H12N2O/c1-6-8(5-12)3-2-7(4-10)9(6)11/h2-4,10,12H,5,11H2,1H3/b10-4+
InChIKeyRTGLOPNSHNLYHV-ONNFQVAWSA-N
XLogP1.07
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-4-methanimidoyl-2-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methanimidoyl-2-methylphenyl)methanol?
The IUPAC name of (3-amino-4-methanimidoyl-2-methylphenyl)methanol (CID 166097156) is (3-amino-4-methanimidoyl-2-methylphenyl)methanol.
What is the SMILES notation for (3-amino-4-methanimidoyl-2-methylphenyl)methanol?
The canonical SMILES for (3-amino-4-methanimidoyl-2-methylphenyl)methanol is [H]/N=C/c1ccc(CO)c(C)c1N.
What is the InChIKey of (3-amino-4-methanimidoyl-2-methylphenyl)methanol?
The InChIKey is RTGLOPNSHNLYHV-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-8(5-12)3-2-7(4-10)9(6)11/h2-4,10,12H,5,11H2,1H3/b10-4+.
What are the key properties of (3-amino-4-methanimidoyl-2-methylphenyl)methanol?
(3-amino-4-methanimidoyl-2-methylphenyl)methanol has a molecular weight of 164.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methanimidoyl-2-methylphenyl)methanol is sourced from PubChem (CID 166097156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).