(1-methoxy-2-phenylethylidene)azanium chloride

C9H12ClNO — CID 44725554

IUPAC(1-methoxy-2-phenylethylidene)azanium chloride
SMILESCOC(=[NH2+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO.ClH/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H
InChIKeyHYOCTNKCUZZJIH-UHFFFAOYSA-N
MW185.65 g/mol
LogP-2.96
Rot. Bonds2

About (1-methoxy-2-phenylethylidene)azanium chloride

(1-methoxy-2-phenylethylidene)azanium chloride (PubChem CID 44725554) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1-methoxy-2-phenylethylidene)azanium chloride.

Molecular Properties

Compound Name(1-methoxy-2-phenylethylidene)azanium chloride
PubChem CID44725554
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1-methoxy-2-phenylethylidene)azanium chloride
SMILESCOC(=[NH2+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO.ClH/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H
InChIKeyHYOCTNKCUZZJIH-UHFFFAOYSA-N
XLogP-2.96
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 ≤ 5-2.96
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

[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride
CID 135905289
O-methyl 2-phenylethaneselenoate
CID 15646646
CID 172801156
CID 172801156
methyl 2-phenylacetate;pyridine
CID 22282999
(E)-1-phenylbut-2-en-2-ol
CID 170790149
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-benzylprop-2-enoate
CID 575761
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
[methoxy(phenyl)methylidene]azanium chloride
CID 11062861
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2-phenylacetyl) propanoate
CID 91029268
1-phenylbut-2-en-2-amine
CID 68995045

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-phenylethylidene)azanium chloride?
The IUPAC name of (1-methoxy-2-phenylethylidene)azanium chloride (CID 44725554) is (1-methoxy-2-phenylethylidene)azanium chloride.
What is the SMILES notation for (1-methoxy-2-phenylethylidene)azanium chloride?
The canonical SMILES for (1-methoxy-2-phenylethylidene)azanium chloride is COC(=[NH2+])Cc1ccccc1.[Cl-].
What is the InChIKey of (1-methoxy-2-phenylethylidene)azanium chloride?
The InChIKey is HYOCTNKCUZZJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H.
What are the key properties of (1-methoxy-2-phenylethylidene)azanium chloride?
(1-methoxy-2-phenylethylidene)azanium chloride has a molecular weight of 185.65 g/mol, XLogP of -2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenylethylidene)azanium chloride is sourced from PubChem (CID 44725554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).