N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide

C10H14N2O — CID 12906259

IUPACN'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(O)ccc1/N=C/N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-9(13)4-5-10(8)11-7-12(2)3/h4-7,13H,1-3H3/b11-7+
InChIKeyHGBJHUOSCKXERA-YRNVUSSQSA-N
MW178.23 g/mol
LogP1.92
Rot. Bonds2

About N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide

N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 12906259) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
PubChem CID12906259
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(O)ccc1/N=C/N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-9(13)4-5-10(8)11-7-12(2)3/h4-7,13H,1-3H3/b11-7+
InChIKeyHGBJHUOSCKXERA-YRNVUSSQSA-N
XLogP1.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide (CID 12906259) is N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide is Cc1cc(O)ccc1/N=C/N(C)C.
What is the InChIKey of N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is HGBJHUOSCKXERA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-9(13)4-5-10(8)11-7-12(2)3/h4-7,13H,1-3H3/b11-7+.
What are the key properties of N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide?
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12906259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).