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2- (4-Fluorophenyl) propan-2-amine

CAT: 0127-PC8957-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC8957-01Size:1 g
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CAS Number
17797-10-3
Synonyms
1- (4-Fluorophenyl) -1-methylethylamine, alpha, alpha-Dimethyl-4-fluorobenzylamine
MDL Number
MFCD07777176
Purity
=95%
Smiles
CC(C)(N)c1ccc(F)cc1
Storage Conditions
Store at 2-8°C

Chemical Information

1-(4-Fluorophenyl)-1-methylethylamine
CAS Number17797-10-3
PubChem CID13025665
IUPAC Name2-(4-fluorophenyl)propan-2-amine
Molecular FormulaC9H12FN
Molecular Weight153.20
XLogP1.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CC(C)(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C9H12FN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
InChIKey
NYFSRXOWJXAHOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenyl)-1-methylethylamine
CAS: 17797-10-3
CID: 13025665
Formula: C9H12FN
MW: 153.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass153.095377549
Monoisotopic Mass153.095377549
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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

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