tert-butyl N-[2-(aminomethyl)-3-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[2-(aminomethyl)-3-(trifluoromethoxy)phenyl]carbamate

CAS: 1397243-37-6

Formula: C13H17F3N2O3

SMILES: CC(C)(C)OC(=O)NC1=C(CN)C(OC(F)(F)F)=CC=C1

IUPAC: tert-butyl N-[2-(aminomethyl)-3-(trifluoromethoxy)phenyl]carbamate

InChI: InChI=1S/C13H17F3N2O3/c1-12(2,3)21-11(19)18-9-5-4-6-10(8(9)7-17)20-13(14,15)16/h4-6H,7,17H2,1-3H3,(H,18,19)

Composition: C (50.98%), H (5.59%), F (18.61%), N (9.15%), O (15.67%)

Molar Mass: 306.285

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.119126904
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FEBRNELXBXYLNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.89
Topological Polar Surface Area	73.58
Polarizability	26.7
Ring Count	1
Rotatable Bond Count	6

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