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

C13H17NO — CID 103074242

IUPAC2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
SMILESC=C(CN)COC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-12(10-14)11-15-9-5-8-13-6-3-2-4-7-13/h2-8H,1,9-11,14H2/b8-5+
InChIKeyXLWPWORDNALKNX-VMPITWQZSA-N
MW203.28 g/mol
LogP2.23
Rot. Bonds6

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

2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine (PubChem CID 103074242) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
PubChem CID103074242
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
SMILESC=C(CN)COC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-12(10-14)11-15-9-5-8-13-6-3-2-4-7-13/h2-8H,1,9-11,14H2/b8-5+
InChIKeyXLWPWORDNALKNX-VMPITWQZSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.23
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 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

N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074243
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
CID 145420997
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
CID 76931527
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
1,3,5-tribromo-2-[[(E)-3-phenylprop-2-enoxy]methyl]-4,6-bis(prop-2-enoxymethyl)benzene
CID 10919097

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine (CID 103074242) is 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine is C=C(CN)COC/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
The InChIKey is XLWPWORDNALKNX-VMPITWQZSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(10-14)11-15-9-5-8-13-6-3-2-4-7-13/h2-8H,1,9-11,14H2/b8-5+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine?
2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103074242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).