N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine

C16H23NO2 — CID 55077865

IUPACN-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(COC/C=C/c2ccccc2)O1
InChIInChI=1S/C16H23NO2/c1-17-12-15-9-10-16(19-15)13-18-11-5-8-14-6-3-2-4-7-14/h2-8,15-17H,9-13H2,1H3/b8-5+
InChIKeyDRSABGHFQYAYFI-VMPITWQZSA-N
MW261.37 g/mol
LogP2.48
Rot. Bonds7

About N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine

N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine (PubChem CID 55077865) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine
PubChem CID55077865
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(COC/C=C/c2ccccc2)O1
InChIInChI=1S/C16H23NO2/c1-17-12-15-9-10-16(19-15)13-18-11-5-8-14-6-3-2-4-7-14/h2-8,15-17H,9-13H2,1H3/b8-5+
InChIKeyDRSABGHFQYAYFI-VMPITWQZSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine (CID 55077865) is N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine is CNCC1CCC(COC/C=C/c2ccccc2)O1.
What is the InChIKey of N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine?
The InChIKey is DRSABGHFQYAYFI-VMPITWQZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-12-15-9-10-16(19-15)13-18-11-5-8-14-6-3-2-4-7-14/h2-8,15-17H,9-13H2,1H3/b8-5+.
What are the key properties of N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 55077865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).