5-amino-4-methanimidoyl-2-methylphenol

C8H10N2O — CID 164586972

IUPAC5-amino-4-methanimidoyl-2-methylphenol
SMILES[H]/N=C/c1cc(C)c(O)cc1N
InChIInChI=1S/C8H10N2O/c1-5-2-6(4-9)7(10)3-8(5)11/h2-4,9,11H,10H2,1H3/b9-4+
InChIKeyVFJFCKWLNBDKJW-RUDMXATFSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds1

About 5-amino-4-methanimidoyl-2-methylphenol

5-amino-4-methanimidoyl-2-methylphenol (PubChem CID 164586972) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-amino-4-methanimidoyl-2-methylphenol.

Molecular Properties

Compound Name5-amino-4-methanimidoyl-2-methylphenol
PubChem CID164586972
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-amino-4-methanimidoyl-2-methylphenol
SMILES[H]/N=C/c1cc(C)c(O)cc1N
InChIInChI=1S/C8H10N2O/c1-5-2-6(4-9)7(10)3-8(5)11/h2-4,9,11H,10H2,1H3/b9-4+
InChIKeyVFJFCKWLNBDKJW-RUDMXATFSA-N
XLogP1.28
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methanimidoyl-2-methylphenol?
The IUPAC name of 5-amino-4-methanimidoyl-2-methylphenol (CID 164586972) is 5-amino-4-methanimidoyl-2-methylphenol.
What is the SMILES notation for 5-amino-4-methanimidoyl-2-methylphenol?
The canonical SMILES for 5-amino-4-methanimidoyl-2-methylphenol is [H]/N=C/c1cc(C)c(O)cc1N.
What is the InChIKey of 5-amino-4-methanimidoyl-2-methylphenol?
The InChIKey is VFJFCKWLNBDKJW-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-2-6(4-9)7(10)3-8(5)11/h2-4,9,11H,10H2,1H3/b9-4+.
What are the key properties of 5-amino-4-methanimidoyl-2-methylphenol?
5-amino-4-methanimidoyl-2-methylphenol has a molecular weight of 150.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methanimidoyl-2-methylphenol is sourced from PubChem (CID 164586972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).