4,6-Dimethyl-2-phenyl-2-propoxymorpholine--hydrogen chloride (1/1)

CAS Number: 124497-84-3
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CCCOC1(c2ccccc2)OC(C)CN(C)C1.Cl
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: none
Formula
HCl.C15H23NO2
Molecular Weight
249.353
Drug-likeness
4.3544
CAS
124497-84-3
InChI key
MXOXMZZLNGODKD-UHFFFAOYSA-N
SMILES
CCCOC1(c2ccccc2)OC(C)CN(C)C1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 124497-84-3
Molecule Name 4,6-Dimethyl-2-phenyl-2-propoxymorpholine--hydrogen chloride (1/1)
Molecular Formula HCl.C15H23NO2
SMILES CCCOC1(c2ccccc2)OC(C)CN(C)C1.Cl
InChI InChI=1S/C15H23NO2.ClH/c1-4-10-17-15(14-8-6-5-7-9-14)12-16(3)11-13(2)18-15;/h5-9,13H,4,10-12H2,1-3H3;1H
InChI Key MXOXMZZLNGODKD-UHFFFAOYSA-N
CanonicalSyTyLFy 8a96ed9c7779dcee
TotalMolweight 285.814
Molecular Weight 249.353
MonoisotopicMass 249.172879
CLogP 2.6299
CLogS -1.264
H Acceptors 3
TotalSurfaceArea 204.79
Relative PSA 0.115
PolarSurfaceArea 21.7
Drug-likeness 4.3544
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.48598
Molecular Complexity 0.72591
Fragments 2
Non HAtoms 18
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 2
Rotatable Bond 4
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 12
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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