(2R)-2-(4-Chlorophenyl)-4-methylmorpholine

CAS Number: 920802-36-4
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CN1C[C@@H](c(cc2)ccc2Cl)OCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H14NOCl
Molecular Weight
211.691
Drug-likeness
5.0914
CAS
920802-36-4
InChI key
CNEZNODSSKVUQS-NSHDSACASA-N
SMILES
CN1C[C@@H](c(cc2)ccc2Cl)OCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 920802-36-4
Molecule Name (2R)-2-(4-Chlorophenyl)-4-methylmorpholine
Molecular Formula C11H14NOCl
SMILES CN1C[C@@H](c(cc2)ccc2Cl)OCC1
InChI InChI=1S/C11H14ClNO/c1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChI Key CNEZNODSSKVUQS-NSHDSACASA-N
CanonicalSyTyLFy cbce67b5f0df4ff2
TotalMolweight 211.691
Molecular Weight 211.691
MonoisotopicMass 211.076391
CLogP 1.9556
CLogS -1.704
H Acceptors 2
TotalSurfaceArea 161.52
Relative PSA 0.083891
PolarSurfaceArea 12.47
Drug-likeness 5.0914
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.64286
Molecula Flexibility 0.41645
Molecular Complexity 0.64283
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon this enantiomer

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