4-(1-Phenylcyclohexyl)morpholine--hydrogen chloride (1/1)

CAS Number: 1934-49-2
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C(CC1)CCC1(c1ccccc1)N1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C16H23NO
Molecular Weight
245.365
Drug-likeness
-2.9598
CAS
1934-49-2
InChI key
RTARNXZLDAUNOX-UHFFFAOYSA-N
SMILES
C(CC1)CCC1(c1ccccc1)N1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1934-49-2
Molecule Name 4-(1-Phenylcyclohexyl)morpholine--hydrogen chloride (1/1)
Molecular Formula HCl.C16H23NO
SMILES C(CC1)CCC1(c1ccccc1)N1CCOCC1.Cl
InChI InChI=1S/C16H23NO.ClH/c1-3-7-15(8-4-1)16(9-5-2-6-10-16)17-11-13-18-14-12-17;/h1,3-4,7-8H,2,5-6,9-14H2;1H
InChI Key RTARNXZLDAUNOX-UHFFFAOYSA-N
CanonicalSyTyLFy c8bb30baecda673e
TotalMolweight 281.826
Molecular Weight 245.365
MonoisotopicMass 245.177964
CLogP 2.9732
CLogS -2.578
H Acceptors 2
TotalSurfaceArea 200.81
Relative PSA 0.067477
PolarSurfaceArea 12.47
Drug-likeness -2.9598
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.43328
Molecular Complexity 0.71389
Fragments 2
Non HAtoms 18
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 12
Symmetricatoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 1

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