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

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

CAS: 887578-39-4

Formula: C17H25BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(C1)NCCC1=CC(Br)=CC=C1

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

InChI: InChI=1/C17H25BrN2O2/c1-17(2,3)22-16(21)20-10-8-15(12-20)19-9-7-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3

Composition: C (55.29%), H (6.82%), Br (21.64%), N (7.59%), O (8.66%)

Molar Mass: 369.303

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	368.109941
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XBLATSAIKIAMQF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.97
Topological Polar Surface Area	41.57
Polarizability	35.94
Ring Count	2
Rotatable Bond Count	6

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