tert-butyl 3-{[2-(4-bromophenyl)ethyl]amino}azetidine-1-carboxylate

tert-butyl 3-{[2-(4-bromophenyl)ethyl]amino}azetidine-1-carboxylate

CAS: 887579-92-2

Formula: C16H23BrN2O2

SMILES: CC(C)(C)OC(=O)N1CC(C1)NCCC1=CC=C(Br)C=C1

IUPAC: tert-butyl 3-{[2-(4-bromophenyl)ethyl]amino}azetidine-1-carboxylate

InChI: InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-14(11-19)18-9-8-12-4-6-13(17)7-5-12/h4-7,14,18H,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	0
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	VBOSSDDHOCSJCZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.1
Topological Polar Surface Area	41.57
Polarizability	34.11
Ring Count	2
Rotatable Bond Count	6

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