N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine

C14H19NO — CID 103074243

IUPACN-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC)COC/C=C/c1ccccc1
InChIInChI=1S/C14H19NO/c1-13(11-15-2)12-16-10-6-9-14-7-4-3-5-8-14/h3-9,15H,1,10-12H2,2H3/b9-6+
InChIKeyZEUJVJOEQWDXPU-RMKNXTFCSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds7

About N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine

N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine (PubChem CID 103074243) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
PubChem CID103074243
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC)COC/C=C/c1ccccc1
InChIInChI=1S/C14H19NO/c1-13(11-15-2)12-16-10-6-9-14-7-4-3-5-8-14/h3-9,15H,1,10-12H2,2H3/b9-6+
InChIKeyZEUJVJOEQWDXPU-RMKNXTFCSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074242
N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 79627884
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
CID 145420997
4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
CID 146652816
(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
CID 126526206
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine (CID 103074243) is N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine is C=C(CNC)COC/C=C/c1ccccc1.
What is the InChIKey of N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The InChIKey is ZEUJVJOEQWDXPU-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(11-15-2)12-16-10-6-9-14-7-4-3-5-8-14/h3-9,15H,1,10-12H2,2H3/b9-6+.
What are the key properties of N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103074243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).