N,N-Dimethyl-1,2-diphenylethan-1-amine--hydrogen chloride (1/1)

CAS Number: 14148-99-3
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CN(C)C(Cc1ccccc1)c1ccccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C16H19N
Molecular Weight
225.334
Drug-likeness
2.4422
CAS
14148-99-3
InChI key
VKIHKZMKDNVEIK-NTISSMGPSA-N
SMILES
CN(C)C(Cc1ccccc1)c1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14148-99-3
Molecule Name N,N-Dimethyl-1,2-diphenylethan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C16H19N
SMILES CN(C)C(Cc1ccccc1)c1ccccc1.Cl
InChI InChI=1S/C16H19N.ClH/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12,16H,13H2,1-2H3;1H/t16-;/m0./s1
InChI Key VKIHKZMKDNVEIK-NTISSMGPSA-N
CanonicalSyTyLFy a044024460d9d9c4
TotalMolweight 261.795
Molecular Weight 225.334
MonoisotopicMass 225.151749
CLogP 3.0111
CLogS -2.336
H Acceptors 1
TotalSurfaceArea 194.1
Relative PSA 0.01829
PolarSurfaceArea 3.24
Drug-likeness 2.4422
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58824
Molecula Flexibility 0.59388
Molecular Complexity 0.58251
Fragments 2
Non HAtoms 17
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 4
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 5
Symmetricatoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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