(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine

C20H23NO — CID 44203789

IUPAC(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
SMILESC[C@H]1COC[C@H](N1C2=CC=CC=C2)C/C=C/C3=CC=CC=C3
InChIInChI=1S/C20H23NO/c1-17-15-22-16-20(21(17)19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-13,17,20H,14-16H2,1H3/b11-8+/t17-,20+/m0/s1
InChIKeyRXNZKSROERJAOV-ZNPHBUKXSA-N
MW293.40 g/mol
LogP4.80
Rot. Bonds4

About (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine

(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine (PubChem CID 44203789) has the molecular formula C20H23NO and a molecular weight of 293.40 g/mol. Its IUPAC name is (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine.

Molecular Properties

Compound Name(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
PubChem CID44203789
Molecular FormulaC20H23NO
Molecular Weight293.40 g/mol
Exact Mass293.18
IUPAC Name(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
SMILESC[C@H]1COC[C@H](N1C2=CC=CC=C2)C/C=C/C3=CC=CC=C3
InChIInChI=1S/C20H23NO/c1-17-15-22-16-20(21(17)19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-13,17,20H,14-16H2,1H3/b11-8+/t17-,20+/m0/s1
InChIKeyRXNZKSROERJAOV-ZNPHBUKXSA-N
XLogP4.80
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine 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

Opipramol
CID 9417
Bamipine
CID 72075
Bepridil
CID 2351
Bepridil Hydrochloride
CID 50088
4-Phenylmorpholine
CID 62339
N-(4-(Methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide
CID 124716
4-(Morpholinomethyl)aniline
CID 776851
Methoxyacetylfentanyl
CID 968688
Vascor
CID 91725
Fentanyl ethylformate
CID 44371939
4-Morpholinobenzonitrile
CID 394808
Bepridil, (S)-
CID 445143

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine?
The IUPAC name of (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine (CID 44203789) is (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine.
What is the SMILES notation for (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine?
The canonical SMILES for (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine is C[C@H]1COC[C@H](N1C2=CC=CC=C2)C/C=C/C3=CC=CC=C3.
What is the InChIKey of (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine?
The InChIKey is RXNZKSROERJAOV-ZNPHBUKXSA-N. The full InChI is InChI=1S/C20H23NO/c1-17-15-22-16-20(21(17)19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-13,17,20H,14-16H2,1H3/b11-8+/t17-,20+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine?
(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine has a molecular weight of 293.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine is sourced from PubChem (CID 44203789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).