N-[(E)-3-phenylprop-2-enoxy]ethanamine

C11H15NO — CID 134896875

IUPACN-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCCNOC/C=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-12-13-10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+
InChIKeyUXIQHWFXMDSEGL-RMKNXTFCSA-N
MW177.25 g/mol
LogP2.24
Rot. Bonds5

About N-[(E)-3-phenylprop-2-enoxy]ethanamine

N-[(E)-3-phenylprop-2-enoxy]ethanamine (PubChem CID 134896875) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enoxy]ethanamine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enoxy]ethanamine
PubChem CID134896875
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCCNOC/C=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-12-13-10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+
InChIKeyUXIQHWFXMDSEGL-RMKNXTFCSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Benzyloxy)(methyl)amine
CID 13417387
Methoxyphenylethylamine
CID 121190
Hydroxylamine, O-methyl-N-phenethyl-, hydrochloride
CID 121189
Phenethylamine, N-methoxy-alpha-methyl-, hydrochloride, (+-)-
CID 199111
(Benzyloxy)(ethyl)amine
CID 251744
Benzyl(methoxy)amine
CID 11815413
(Benzyloxy)(pentyl)amine
CID 13736428
(Benzyloxy)(propyl)amine
CID 15366667
(Benzyloxy)(butyl)amine
CID 18361386
Benzyl(ethoxy)amine
CID 18794272
1-Amino-4-phenylbut-3-en-2-ol
CID 13462670
N-methoxy-1-phenylpropan-2-amine
CID 199112

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enoxy]ethanamine?
The IUPAC name of N-[(E)-3-phenylprop-2-enoxy]ethanamine (CID 134896875) is N-[(E)-3-phenylprop-2-enoxy]ethanamine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enoxy]ethanamine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enoxy]ethanamine is CCNOC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enoxy]ethanamine?
The InChIKey is UXIQHWFXMDSEGL-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-12-13-10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enoxy]ethanamine?
N-[(E)-3-phenylprop-2-enoxy]ethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enoxy]ethanamine is sourced from PubChem (CID 134896875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).