N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide

C9H12N2O — CID 596208

IUPACN'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)7-10-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3/b10-7+
InChIKeyYXTSZBNGJXQOIM-JXMROGBWSA-N
MW164.21 g/mol
LogP1.61
Rot. Bonds2

About N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide

N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide (PubChem CID 596208) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide
PubChem CID596208
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)7-10-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3/b10-7+
InChIKeyYXTSZBNGJXQOIM-JXMROGBWSA-N
XLogP1.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.61
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-hydroxyphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide (CID 596208) is N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(O)cc1.
What is the InChIKey of N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is YXTSZBNGJXQOIM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)7-10-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3/b10-7+.
What are the key properties of N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide?
N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 164.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 596208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).