1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine

C18H20N2O — CID 67646967

IUPAC1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
SMILESC=CC(N)(OC(N)(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(19,15-11-7-5-8-12-15)21-18(20,4-2)16-13-9-6-10-14-16/h3-14H,1-2,19-20H2
InChIKeyZTZRYXIDHDQSIA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.00
Rot. Bonds6

About 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine

1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine (PubChem CID 67646967) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
PubChem CID67646967
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
SMILESC=CC(N)(OC(N)(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(19,15-11-7-5-8-12-15)21-18(20,4-2)16-13-9-6-10-14-16/h3-14H,1-2,19-20H2
InChIKeyZTZRYXIDHDQSIA-UHFFFAOYSA-N
XLogP3.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine?
The IUPAC name of 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine (CID 67646967) is 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine?
The canonical SMILES for 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine is C=CC(N)(OC(N)(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine?
The InChIKey is ZTZRYXIDHDQSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-17(19,15-11-7-5-8-12-15)21-18(20,4-2)16-13-9-6-10-14-16/h3-14H,1-2,19-20H2.
What are the key properties of 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine?
1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine is sourced from PubChem (CID 67646967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).