N-Phenyl-2,3-dihydro-1H-inden-2-amine--hydrogen chloride (1/1)

CAS Number: 33237-73-9
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C(C(C1)Nc2ccccc2)c2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C15H15N
Molecular Weight
209.291
Drug-likeness
0.39235
CAS
33237-73-9
InChI key
NULCHMBQAARIQM-UHFFFAOYSA-N
SMILES
C(C(C1)Nc2ccccc2)c2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 33237-73-9
Molecule Name N-Phenyl-2,3-dihydro-1H-inden-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C15H15N
SMILES C(C(C1)Nc2ccccc2)c2c1cccc2.Cl
InChI InChI=1S/C15H15N.ClH/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15;/h1-9,15-16H,10-11H2;1H
InChI Key NULCHMBQAARIQM-UHFFFAOYSA-N
CanonicalSyTyLFy 64dfbd6d62a5b253
TotalMolweight 245.752
Molecular Weight 209.291
MonoisotopicMass 209.120449
CLogP 3.2847
CLogS -3.538
H Acceptors 1
H Donors 1
TotalSurfaceArea 171
Relative PSA 0.067018
PolarSurfaceArea 12.03
Drug-likeness 0.39235
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.31908
Molecular Complexity 0.59413
Fragments 2
Non HAtoms 16
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 6
Amines 1
Aromatic Amines 1

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