N-[2-(Diphenylmethoxy)ethyl]morpholin-4-amine--hydrogen chloride (1/1)

CAS Number: 63918-19-4
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C(COC(c1ccccc1)c1ccccc1)NN1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: low
Formula
HCl.C19H24N2O2
Molecular Weight
312.412
Drug-likeness
1.8175
CAS
63918-19-4
InChI key
BDDYLBIKOCDHKY-UHFFFAOYSA-N
SMILES
C(COC(c1ccccc1)c1ccccc1)NN1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 63918-19-4
Molecule Name N-[2-(Diphenylmethoxy)ethyl]morpholin-4-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C19H24N2O2
SMILES C(COC(c1ccccc1)c1ccccc1)NN1CCOCC1.Cl
InChI InChI=1S/C19H24N2O2.ClH/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)23-14-11-20-21-12-15-22-16-13-21;/h1-10,19-20H,11-16H2;1H
InChI Key BDDYLBIKOCDHKY-UHFFFAOYSA-N
CanonicalSyTyLFy 717b96aa7c6bffd9
TotalMolweight 348.872
Molecular Weight 312.412
MonoisotopicMass 312.183778
CLogP 1.4484
CLogS -2.472
H Acceptors 4
H Donors 1
TotalSurfaceArea 256.34
Relative PSA 0.13658
PolarSurfaceArea 33.73
Drug-likeness 1.8175
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant low
Shape Index 0.56522
Molecula Flexibility 0.5378
Molecular Complexity 0.58006
Fragments 2
Non HAtoms 23
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 7
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 11
Symmetricatoms 10

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