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290352-01-1 | Benzeneethanamine, β-fluoro-α-(1-methylethyl)-β-phenyl-, (αS)-
CAS No: 290352-01-1 Catalog No: AG002VAO MDL No:
Product Description
Catalog Number:
AG002VAO
Chemical Name:
Benzeneethanamine, β-fluoro-α-(1-methylethyl)-β-phenyl-, (αS)-
CAS Number:
290352-01-1
Molecular Formula:
C17H20FN
Molecular Weight:
257.3458
IUPAC Name:
(2S)-1-fluoro-3-methyl-1,1-diphenylbutan-2-amine
InChI:
InChI=1S/C17H20FN/c1-13(2)16(19)17(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,19H2,1-2H3/t16-/m0/s1
InChI Key:
MJIXRSWLVFUMCB-INIZCTEOSA-N
SMILES:
N[C@H](C(c1ccccc1)(c1ccccc1)F)C(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.352g/mol
Monoisotopic Mass:
257.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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