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887590-96-7 | 1-Pyrrolidinecarboxylicacid, 3-[[[(2-fluorophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887590-96-7 Catalog No: AG004BKU MDL No:
Product Description
Catalog Number:
AG004BKU
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[[(2-fluorophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887590-96-7
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
IUPAC Name:
tert-butyl 3-[[(2-fluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-9-8-13(12-20)10-19-11-14-6-4-5-7-15(14)18/h4-7,13,19H,8-12H2,1-3H3
InChI Key:
WDQTURHNFSRHHP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)CNCc1ccccc1F)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.397g/mol
Monoisotopic Mass:
308.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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