[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate

C8H13ClN2O2 — CID 139084678

IUPAC[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
SMILESCOc1ccc(C(N)=[NH2+])cc1.O.[Cl-]
InChIInChI=1S/C8H10N2O.ClH.H2O/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3,(H3,9,10);1H;1H2
InChIKeyOUJKVCOFZOVSSW-UHFFFAOYSA-N
MW204.66 g/mol
LogP-4.66
Rot. Bonds2

About [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate

[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate (PubChem CID 139084678) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate.

Molecular Properties

Compound Name[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
PubChem CID139084678
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
SMILESCOc1ccc(C(N)=[NH2+])cc1.O.[Cl-]
InChIInChI=1S/C8H10N2O.ClH.H2O/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3,(H3,9,10);1H;1H2
InChIKeyOUJKVCOFZOVSSW-UHFFFAOYSA-N
XLogP-4.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-4.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium chloride
CID 170909380
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
CID 12714057
CID 12714057
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
4-methoxybenzoic acid;hydrobromide
CID 172731707
[amino-[4-[6-[4-[amino(azaniumylidene)methyl]phenoxy]hexoxy]phenyl]methylidene]azanium
CID 51381298
(E)-[amino-(4-methoxyphenyl)methylidene]-hydroxyazanium iodide
CID 135850192

Frequently Asked Questions

What is the IUPAC name of [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate?
The IUPAC name of [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate (CID 139084678) is [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate.
What is the SMILES notation for [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate?
The canonical SMILES for [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate is COc1ccc(C(N)=[NH2+])cc1.O.[Cl-].
What is the InChIKey of [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate?
The InChIKey is OUJKVCOFZOVSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH.H2O/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3,(H3,9,10);1H;1H2.
What are the key properties of [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate?
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate has a molecular weight of 204.66 g/mol, XLogP of -4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate is sourced from PubChem (CID 139084678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).