[ethoxy(phenyl)methylidene]azanium chloride

C9H12ClNO — CID 11030512

IUPAC[ethoxy(phenyl)methylidene]azanium chloride
SMILESCCOC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H
InChIKeyMODZVIMSNXSQIH-UHFFFAOYSA-N
MW185.65 g/mol
LogP-2.77
Rot. Bonds2

About [ethoxy(phenyl)methylidene]azanium chloride

[ethoxy(phenyl)methylidene]azanium chloride (PubChem CID 11030512) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [ethoxy(phenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[ethoxy(phenyl)methylidene]azanium chloride
PubChem CID11030512
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[ethoxy(phenyl)methylidene]azanium chloride
SMILESCCOC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H
InChIKeyMODZVIMSNXSQIH-UHFFFAOYSA-N
XLogP-2.77
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
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

[methoxy(phenyl)methylidene]azanium chloride
CID 11062861
[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
CID 75365836
CID 158970570
CID 158970570
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
ethyl 2-oxo-2-phenylacetate
CID 15349
benzamide;ethyl carbonochloridate;hydrochloride
CID 174390729
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
carbon monoxide;[ethoxy(phenyl)methylidene]chromium
CID 11369238
ethyl benzoate;toluene
CID 23150750
2-ethoxy-2-phenylethenone
CID 174331392

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenyl)methylidene]azanium chloride?
The IUPAC name of [ethoxy(phenyl)methylidene]azanium chloride (CID 11030512) is [ethoxy(phenyl)methylidene]azanium chloride.
What is the SMILES notation for [ethoxy(phenyl)methylidene]azanium chloride?
The canonical SMILES for [ethoxy(phenyl)methylidene]azanium chloride is CCOC(=[NH2+])c1ccccc1.[Cl-].
What is the InChIKey of [ethoxy(phenyl)methylidene]azanium chloride?
The InChIKey is MODZVIMSNXSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H.
What are the key properties of [ethoxy(phenyl)methylidene]azanium chloride?
[ethoxy(phenyl)methylidene]azanium chloride has a molecular weight of 185.65 g/mol, XLogP of -2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenyl)methylidene]azanium chloride is sourced from PubChem (CID 11030512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).