1-ethoxy-3-phenylprop-2-en-1-amine

C11H15NO — CID 54067555

IUPAC1-ethoxy-3-phenylprop-2-en-1-amine
SMILESCCOC(N)C=Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9,11H,2,12H2,1H3
InChIKeyMECCVRBOTVCRNC-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.02
Rot. Bonds4

About 1-ethoxy-3-phenylprop-2-en-1-amine

1-ethoxy-3-phenylprop-2-en-1-amine (PubChem CID 54067555) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethoxy-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name1-ethoxy-3-phenylprop-2-en-1-amine
PubChem CID54067555
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethoxy-3-phenylprop-2-en-1-amine
SMILESCCOC(N)C=Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9,11H,2,12H2,1H3
InChIKeyMECCVRBOTVCRNC-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-phenylprop-2-en-1-amine?
The IUPAC name of 1-ethoxy-3-phenylprop-2-en-1-amine (CID 54067555) is 1-ethoxy-3-phenylprop-2-en-1-amine.
What is the SMILES notation for 1-ethoxy-3-phenylprop-2-en-1-amine?
The canonical SMILES for 1-ethoxy-3-phenylprop-2-en-1-amine is CCOC(N)C=Cc1ccccc1.
What is the InChIKey of 1-ethoxy-3-phenylprop-2-en-1-amine?
The InChIKey is MECCVRBOTVCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9,11H,2,12H2,1H3.
What are the key properties of 1-ethoxy-3-phenylprop-2-en-1-amine?
1-ethoxy-3-phenylprop-2-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 54067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).