2-Methyl-3-(methylamino)-1,1-diphenylpropan-1-ol--hydrogen chloride (1/1)

CAS Number: 14185-24-1
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CC(CNC)C(c1ccccc1)(c1ccccc1)O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C17H21NO
Molecular Weight
255.36
Drug-likeness
3.4965
CAS
14185-24-1
InChI key
JDIIJTZDRPIWAP-UQKRIMTDSA-N
SMILES
CC(CNC)C(c1ccccc1)(c1ccccc1)O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14185-24-1
Molecule Name 2-Methyl-3-(methylamino)-1,1-diphenylpropan-1-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C17H21NO
SMILES CC(CNC)C(c1ccccc1)(c1ccccc1)O.Cl
InChI InChI=1S/C17H21NO.ClH/c1-14(13-18-2)17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,14,18-19H,13H2,1-2H3;1H/t14-;/m0./s1
InChI Key JDIIJTZDRPIWAP-UQKRIMTDSA-N
CanonicalSyTyLFy 2983790f87f08cb1
TotalMolweight 291.821
Molecular Weight 255.36
MonoisotopicMass 255.162314
CLogP 2.401
CLogS -2.775
H Acceptors 2
H Donors 2
TotalSurfaceArea 212.02
Relative PSA 0.11584
PolarSurfaceArea 32.26
Drug-likeness 3.4965
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.47368
Molecula Flexibility 0.52616
Molecular Complexity 0.64441
Fragments 2
Non HAtoms 19
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 5
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 7
Symmetricatoms 8
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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