tert-butyl 3-{[(2-bromophenyl)amino]methyl}pyrrolidine-1-carboxylate

tert-butyl 3-{[(2-bromophenyl)amino]methyl}pyrrolidine-1-carboxylate

CAS: 887590-69-4

Formula: C16H23BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CNC2=C(Br)C=CC=C2)C1

IUPAC: tert-butyl 3-{[(2-bromophenyl)amino]methyl}pyrrolidine-1-carboxylate

InChI: InChI=1/C16H23BrN2O2/c1-16(2,3)21-15(20)19-9-8-12(11-19)10-18-14-7-5-4-6-13(14)17/h4-7,12,18H,8-11H2,1-3H3

Composition: C (54.09%), H (6.53%), Br (22.49%), N (7.89%), O (9.01%)

Molar Mass: 355.276

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	354.094291
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AJNMIQBBXKGHBR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.14
Topological Polar Surface Area	41.57
Polarizability	33.83
Ring Count	2
Rotatable Bond Count	5

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