1-phenyl-N-prop-2-enoxyethanamine

C11H15NO — CID 10899223

IUPAC1-phenyl-N-prop-2-enoxyethanamine
SMILESC=CCONC(C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyVCLSCTVJFKMOCP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.45
Rot. Bonds5

About 1-phenyl-N-prop-2-enoxyethanamine

1-phenyl-N-prop-2-enoxyethanamine (PubChem CID 10899223) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enoxyethanamine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enoxyethanamine
PubChem CID10899223
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-phenyl-N-prop-2-enoxyethanamine
SMILESC=CCONC(C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeyVCLSCTVJFKMOCP-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enoxyethanamine?
The IUPAC name of 1-phenyl-N-prop-2-enoxyethanamine (CID 10899223) is 1-phenyl-N-prop-2-enoxyethanamine.
What is the SMILES notation for 1-phenyl-N-prop-2-enoxyethanamine?
The canonical SMILES for 1-phenyl-N-prop-2-enoxyethanamine is C=CCONC(C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-enoxyethanamine?
The InChIKey is VCLSCTVJFKMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3.
What are the key properties of 1-phenyl-N-prop-2-enoxyethanamine?
1-phenyl-N-prop-2-enoxyethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enoxyethanamine is sourced from PubChem (CID 10899223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).