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

C13H19NO — CID 70686303

IUPACN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCN(C)CCOC/C=C/c1ccccc1
InChIInChI=1S/C13H19NO/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyIUDPMKQNEYFFLW-RMKNXTFCSA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds6

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

N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine (PubChem CID 70686303) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
PubChem CID70686303
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
SMILESCN(C)CCOC/C=C/c1ccccc1
InChIInChI=1S/C13H19NO/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyIUDPMKQNEYFFLW-RMKNXTFCSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
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-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine (CID 70686303) is N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine is CN(C)CCOC/C=C/c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
The InChIKey is IUDPMKQNEYFFLW-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+.
What are the key properties of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine?
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine is sourced from PubChem (CID 70686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).