(1E)-N,2-Dimethyl-1-(methylimino)-1-phenylpropan-2-amine

CAS Number: 1134-15-2
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CC(C)(/C(/c1ccccc1)=N/C)NC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C12H18N2
Molecular Weight
190.289
Drug-likeness
1.5786
CAS
1134-15-2
InChI key
OGBMWWXYLZHVGJ-ACCUITESSA-N
SMILES
CC(C)(/C(/c1ccccc1)=N/C)NC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1134-15-2
Molecule Name (1E)-N,2-Dimethyl-1-(methylimino)-1-phenylpropan-2-amine
Molecular Formula C12H18N2
SMILES CC(C)(/C(/c1ccccc1)=N/C)NC
InChI InChI=1S/C12H18N2/c1-12(2,14-4)11(13-3)10-8-6-5-7-9-10/h5-9,14H,1-4H3/b13-11+
InChI Key OGBMWWXYLZHVGJ-ACCUITESSA-N
CanonicalSyTyLFy 57f93358867d7880
TotalMolweight 190.289
Molecular Weight 190.289
MonoisotopicMass 190.146998
CLogP 1.4241
CLogS -2.328
H Acceptors 2
H Donors 1
TotalSurfaceArea 167.14
Relative PSA 0.13743
PolarSurfaceArea 24.39
Drug-likeness 1.5786
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.61911
Molecular Complexity 0.57248
Fragments 1
Non HAtoms 14
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 2

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