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2- (4-Fluorophenoxy) -n, n-dimethylethanamine

CAT: 0127-PC908454Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC908454Size:1 Each
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CAS Number
2401-45-8
MDL Number
MFCD16302291
Purity
95%
Smiles
CN(C)CCOc1ccc(F)cc1

Chemical Information

2-(4-fluorophenoxy)-N,N-dimethylethanamine
CAS Number2401-45-8
PubChem CID21363862
IUPAC Name2-(4-fluorophenoxy)-N,N-dimethylethanamine
Molecular FormulaC10H14FNO
Molecular Weight183.22
XLogP2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity133
SMILES
CN(C)CCOC1=CC=C(C=C1)F
InChI
InChI=1S/C10H14FNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
KUNDZNSXYFPGGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-fluorophenoxy)-N,N-dimethylethanamine
CAS: 2401-45-8
CID: 21363862
Formula: C10H14FNO
MW: 183.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight183.22
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass183.105942232
Monoisotopic Mass183.105942232
Topological Polar Surface Area12.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes