tert-butyl N-{[1-(3-aminophenyl)pyrrolidin-3-yl]methyl}carbamate

tert-butyl N-{[1-(3-aminophenyl)pyrrolidin-3-yl]methyl}carbamate

CAS: 889948-52-1

Formula: C16H25N3O2

SMILES: CC(C)(C)OC(=O)NCC1CCN(C1)C1=CC(N)=CC=C1

IUPAC: tert-butyl N-{[1-(3-aminophenyl)pyrrolidin-3-yl]methyl}carbamate

InChI: InChI=1/C16H25N3O2/c1-16(2,3)21-15(20)18-10-12-7-8-19(11-12)14-6-4-5-13(17)9-14/h4-6,9,12H,7-8,10-11,17H2,1-3H3,(H,18,20)

Composition: C (65.95%), H (8.65%), N (14.42%), O (10.98%)

Molar Mass: 291.395

Atom Count: 46

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	291.194677057
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BIBJHXRNSZEVJB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.56
Topological Polar Surface Area	67.59
Polarizability	32.2
Ring Count	2
Rotatable Bond Count	5

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