(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine

C13H15NO — CID 144884686

IUPAC(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine
SMILESC=CC(=C)O/C(C)=C(/N)c1ccccc1
InChIInChI=1S/C13H15NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h4-9H,1-2,14H2,3H3/b13-11+
InChIKeyLCXRGHGVAVJRIV-ACCUITESSA-N
MW201.27 g/mol
LogP3.05
Rot. Bonds4

About (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine

(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine (PubChem CID 144884686) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine
PubChem CID144884686
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine
SMILESC=CC(=C)O/C(C)=C(/N)c1ccccc1
InChIInChI=1S/C13H15NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h4-9H,1-2,14H2,3H3/b13-11+
InChIKeyLCXRGHGVAVJRIV-ACCUITESSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 11783526
CID 163687069
CID 163687069
2-Amino-2-phenylethenone
CID 55285741
2-Methyl-1-phenylprop-1-en-1-amine
CID 55290836
(Z)-2-methyl-1-phenylbut-1-en-1-amine
CID 59256897
4-phenyl-5-prop-1-en-2-yl-3H-1,3-oxazole-2-thione
CID 59755579
(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine
CID 71219867
4-Methoxy-1-phenylcyclohexa-2,4-dien-1-amine
CID 71772709
1-Phenylbuta-1,2-dien-1-amine
CID 88271360
(4-Methoxy-5-phenylpyrazol-3-ylidene)methanone
CID 88596964
(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol
CID 89164609
(Z)-2-ethoxy-1-phenylethenamine
CID 132063268

Frequently Asked Questions

What is the IUPAC name of (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine?
The IUPAC name of (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine (CID 144884686) is (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine?
The canonical SMILES for (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine is C=CC(=C)O/C(C)=C(/N)c1ccccc1.
What is the InChIKey of (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine?
The InChIKey is LCXRGHGVAVJRIV-ACCUITESSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10(2)15-11(3)13(14)12-8-6-5-7-9-12/h4-9H,1-2,14H2,3H3/b13-11+.
What are the key properties of (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine?
(E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine has a molecular weight of 201.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-buta-1,3-dien-2-yloxy-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 144884686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).