4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol

C15H16N2O — CID 130459502

IUPAC4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol
SMILES[H]/N=C/c1cccc(-c2ccc(O)cc2C)c1NC
InChIInChI=1S/C15H16N2O/c1-10-8-12(18)6-7-13(10)14-5-3-4-11(9-16)15(14)17-2/h3-9,16-18H,1-2H3/b16-9+
InChIKeyHRQUTTATLNPHOQ-CXUHLZMHSA-N
MW240.31 g/mol
LogP3.41
Rot. Bonds3

About 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol

4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol (PubChem CID 130459502) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol.

Molecular Properties

Compound Name4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol
PubChem CID130459502
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol
SMILES[H]/N=C/c1cccc(-c2ccc(O)cc2C)c1NC
InChIInChI=1S/C15H16N2O/c1-10-8-12(18)6-7-13(10)14-5-3-4-11(9-16)15(14)17-2/h3-9,16-18H,1-2H3/b16-9+
InChIKeyHRQUTTATLNPHOQ-CXUHLZMHSA-N
XLogP3.41
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(E)-hydroxyiminomethyl]-3-(methylamino)-2-phenylphenyl]phenol
CID 135423725
Hydrazine, N-(2-hydroxynaphth-1-ylmethylene)-N'-(4-dimethylaminobenzylideno)-
CID 135693158
4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol
CID 11843161
3-[4-[(E)-hydroxyiminomethyl]-2-(3-hydroxyphenyl)-3-(methylamino)phenyl]phenol
CID 11843162
4-[4-[(E)-hydroxyiminomethyl]-2-(4-hydroxyphenyl)-3-(methylamino)phenyl]phenol
CID 135423741
2,4-Ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol
CID 11092512
2-[3-[2-(Dimethylamino)ethanimidoyl]-4-(methylamino)phenyl]-5-fluorophenol
CID 145222077
[2-[2-(Dimethylamino)ethanimidoyl]-4-(4-fluoro-2-hydroxyphenyl)phenyl]-methylazanium
CID 164107003
4-[3,4,6-Trifluoro-2-(methylamino)phenyl]phenol
CID 174480871
4-[3,4,5-Trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
2-(2-Anilinoethyliminomethyl)-4,6-ditert-butylphenol
CID 136798640
1-[(2-Anilinoethyl)iminiomethyl]-2-naphtholate
CID 139076702

Frequently Asked Questions

What is the IUPAC name of 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol?
The IUPAC name of 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol (CID 130459502) is 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol.
What is the SMILES notation for 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol?
The canonical SMILES for 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol is [H]/N=C/c1cccc(-c2ccc(O)cc2C)c1NC.
What is the InChIKey of 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol?
The InChIKey is HRQUTTATLNPHOQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-8-12(18)6-7-13(10)14-5-3-4-11(9-16)15(14)17-2/h3-9,16-18H,1-2H3/b16-9+.
What are the key properties of 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol?
4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol has a molecular weight of 240.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol is sourced from PubChem (CID 130459502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).