2-[(E)-2-phenylethenoxy]ethanamine

C10H13NO — CID 14980100

IUPAC2-[(E)-2-phenylethenoxy]ethanamine
SMILESNCCO/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2/b8-6+
InChIKeyDDNGWXFFYAVESV-SOFGYWHQSA-N
MW163.22 g/mol
LogP1.63
Rot. Bonds4

About 2-[(E)-2-phenylethenoxy]ethanamine

2-[(E)-2-phenylethenoxy]ethanamine (PubChem CID 14980100) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenoxy]ethanamine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenoxy]ethanamine
PubChem CID14980100
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[(E)-2-phenylethenoxy]ethanamine
SMILESNCCO/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2/b8-6+
InChIKeyDDNGWXFFYAVESV-SOFGYWHQSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenoxy]ethanamine?
The IUPAC name of 2-[(E)-2-phenylethenoxy]ethanamine (CID 14980100) is 2-[(E)-2-phenylethenoxy]ethanamine.
What is the SMILES notation for 2-[(E)-2-phenylethenoxy]ethanamine?
The canonical SMILES for 2-[(E)-2-phenylethenoxy]ethanamine is NCCO/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenoxy]ethanamine?
The InChIKey is DDNGWXFFYAVESV-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2/b8-6+.
What are the key properties of 2-[(E)-2-phenylethenoxy]ethanamine?
2-[(E)-2-phenylethenoxy]ethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenoxy]ethanamine is sourced from PubChem (CID 14980100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).