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2-Hydroxymethyl Atomoxetiene

CAT: 0024-sc-491071Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491071Size:1 mg
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CAS Number
299435-92-0

Chemical Information

2-((1R)-3-(Methylamino)-1-phenylpropoxy)benzenemethanol
CAS Number299435-92-0
PubChem CID9881925
IUPAC Name[2-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl]methanol
Molecular FormulaC17H21NO2
Molecular Weight271.35
XLogP2.5
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity253
SMILES
CNCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2CO
InChI
InChI=1S/C17H21NO2/c1-18-12-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)13-19/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKey
FYSYNTKLUNOCQR-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of 2-((1R)-3-(Methylamino)-1-phenylpropoxy)benzenemethanol
CAS: 299435-92-0
CID: 9881925
Formula: C17H21NO2
MW: 271.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.35
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass271.157228913
Monoisotopic Mass271.157228913
Topological Polar Surface Area41.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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