(1-ethoxy-3-phenylpropylidene)azanium chloride

C11H16ClNO — CID 11264346

IUPAC(1-ethoxy-3-phenylpropylidene)azanium chloride
SMILESCCOC(=[NH2+])CCc1ccccc1.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;/h3-7,12H,2,8-9H2,1H3;1H
InChIKeyDUHNIKWXGUOEEN-UHFFFAOYSA-N
MW213.71 g/mol
LogP-2.18
Rot. Bonds4

About (1-ethoxy-3-phenylpropylidene)azanium chloride

(1-ethoxy-3-phenylpropylidene)azanium chloride (PubChem CID 11264346) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1-ethoxy-3-phenylpropylidene)azanium chloride.

Molecular Properties

Compound Name(1-ethoxy-3-phenylpropylidene)azanium chloride
PubChem CID11264346
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1-ethoxy-3-phenylpropylidene)azanium chloride
SMILESCCOC(=[NH2+])CCc1ccccc1.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;/h3-7,12H,2,8-9H2,1H3;1H
InChIKeyDUHNIKWXGUOEEN-UHFFFAOYSA-N
XLogP-2.18
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 5-2.18
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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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-phenylpropylidene)azanium chloride?
The IUPAC name of (1-ethoxy-3-phenylpropylidene)azanium chloride (CID 11264346) is (1-ethoxy-3-phenylpropylidene)azanium chloride.
What is the SMILES notation for (1-ethoxy-3-phenylpropylidene)azanium chloride?
The canonical SMILES for (1-ethoxy-3-phenylpropylidene)azanium chloride is CCOC(=[NH2+])CCc1ccccc1.[Cl-].
What is the InChIKey of (1-ethoxy-3-phenylpropylidene)azanium chloride?
The InChIKey is DUHNIKWXGUOEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;/h3-7,12H,2,8-9H2,1H3;1H.
What are the key properties of (1-ethoxy-3-phenylpropylidene)azanium chloride?
(1-ethoxy-3-phenylpropylidene)azanium chloride has a molecular weight of 213.71 g/mol, XLogP of -2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-phenylpropylidene)azanium chloride is sourced from PubChem (CID 11264346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).