1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine

C15H22N2O — CID 115315662

IUPAC1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C15H22N2O/c1-13(16)15-12-17(10-11-18-15)9-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12,16H2,1H3/b8-5+
InChIKeyGSAZRDTVQCMHAT-VMPITWQZSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine

1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine (PubChem CID 115315662) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
PubChem CID115315662
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C15H22N2O/c1-13(16)15-12-17(10-11-18-15)9-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12,16H2,1H3/b8-5+
InChIKeyGSAZRDTVQCMHAT-VMPITWQZSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine (CID 115315662) is 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine is CC(N)C1CN(C/C=C/c2ccccc2)CCO1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine?
The InChIKey is GSAZRDTVQCMHAT-VMPITWQZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(16)15-12-17(10-11-18-15)9-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12,16H2,1H3/b8-5+.
What are the key properties of 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine?
1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).