N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride

C9H13ClN2O2 — CID 57368856

IUPACN'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
SMILESCOc1cccc(CC(N)=NO)c1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-13-8-4-2-3-7(5-8)6-9(10)11-12;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyRXVLDTBGEAJBHV-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.41
Rot. Bonds3

About N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride

N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride (PubChem CID 57368856) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
PubChem CID57368856
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
SMILESCOc1cccc(CC(N)=NO)c1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-13-8-4-2-3-7(5-8)6-9(10)11-12;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyRXVLDTBGEAJBHV-UHFFFAOYSA-N
XLogP1.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide
CID 63181471
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
N'-hydroxy-2-[(3-methoxyphenyl)methyl-propan-2-ylamino]ethanimidamide
CID 77044695
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
(3-methoxyphenyl)(113C)methanol
CID 11593446
N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662
4-[(E)-N-hydroxy-C-[(3-methoxyphenyl)methyl]carbonimidoyl]benzene-1,2,3-triol
CID 135923228
(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
CID 177423869

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride (CID 57368856) is N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride is COc1cccc(CC(N)=NO)c1.Cl.
What is the InChIKey of N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride?
The InChIKey is RXVLDTBGEAJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-13-8-4-2-3-7(5-8)6-9(10)11-12;/h2-5,12H,6H2,1H3,(H2,10,11);1H.
What are the key properties of N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride?
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 57368856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).