N'-hydroxy-2-(2-methylphenyl)ethanimidamide

C9H12N2O — CID 6001694

IUPACN'-hydroxy-2-(2-methylphenyl)ethanimidamide
SMILESCc1ccccc1C/C(N)=N\O
InChIInChI=1S/C9H12N2O/c1-7-4-2-3-5-8(7)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChIKeyPOIXBAUXYDAIDL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.28
Rot. Bonds2

About N'-hydroxy-2-(2-methylphenyl)ethanimidamide

N'-hydroxy-2-(2-methylphenyl)ethanimidamide (PubChem CID 6001694) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylphenyl)ethanimidamide
PubChem CID6001694
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-hydroxy-2-(2-methylphenyl)ethanimidamide
SMILESCc1ccccc1C/C(N)=N\O
InChIInChI=1S/C9H12N2O/c1-7-4-2-3-5-8(7)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChIKeyPOIXBAUXYDAIDL-UHFFFAOYSA-N
XLogP1.28
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
CID 88926427
N'-hydroxy-3-[(2-methylphenyl)methylamino]pentanimidamide
CID 77029037
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
N'-hydroxy-4-[(2-methylphenyl)methylamino]butanimidamide
CID 77029228
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 55135540
3-amino-3-hydroxyimino-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756212
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
N'-hydroxy-2-phenylethanimidamide
CID 6074309
N'-hydroxy-2-(2-methylanilino)ethanimidamide
CID 54379643

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylphenyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylphenyl)ethanimidamide (CID 6001694) is N'-hydroxy-2-(2-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylphenyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylphenyl)ethanimidamide is Cc1ccccc1C/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2-(2-methylphenyl)ethanimidamide?
The InChIKey is POIXBAUXYDAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-2-3-5-8(7)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(2-methylphenyl)ethanimidamide?
N'-hydroxy-2-(2-methylphenyl)ethanimidamide has a molecular weight of 164.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 6001694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).