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

C15H23NO — CID 6445317

IUPACN,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCCN(CC)CCOC/C=C/c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-14-17-13-8-11-15-9-6-5-7-10-15/h5-11H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyUTZZQBFESNQSTK-DHZHZOJOSA-N
MW233.36 g/mol
LogP3.06
Rot. Bonds8

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

N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine (PubChem CID 6445317) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
PubChem CID6445317
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCCN(CC)CCOC/C=C/c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-14-17-13-8-11-15-9-6-5-7-10-15/h5-11H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyUTZZQBFESNQSTK-DHZHZOJOSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine (CID 6445317) is N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine is CCN(CC)CCOC/C=C/c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The InChIKey is UTZZQBFESNQSTK-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(4-2)12-14-17-13-8-11-15-9-6-5-7-10-15/h5-11H,3-4,12-14H2,1-2H3/b11-8+.
What are the key properties of N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine is sourced from PubChem (CID 6445317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).