N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride

C9H13ClN2O — CID 45261182

IUPACN'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccc(CO)cc1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7(10)11-9-4-2-8(6-12)3-5-9;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyIZEBMAPUHDVFGJ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.61
Rot. Bonds2

About N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride

N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride (PubChem CID 45261182) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride
PubChem CID45261182
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccc(CO)cc1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7(10)11-9-4-2-8(6-12)3-5-9;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyIZEBMAPUHDVFGJ-UHFFFAOYSA-N
XLogP1.61
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.61
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride (CID 45261182) is N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride is C/C(N)=N\c1ccc(CO)cc1.Cl.
What is the InChIKey of N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride?
The InChIKey is IZEBMAPUHDVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-7(10)11-9-4-2-8(6-12)3-5-9;/h2-5,12H,6H2,1H3,(H2,10,11);1H.
What are the key properties of N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride?
N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(hydroxymethyl)phenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 45261182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).