N-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

N-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

Formula: C22H27ClN2O2

SMILES: COC1=CC(CNC2CN3CCC2CC3)=CC(Cl)=C1OCC1=CC=CC=C1

IUPAC: N-{[4-(benzyloxy)-3-chloro-5-methoxyphenyl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

InChI: InChI=1/C22H27ClN2O2/c1-26-21-12-17(13-24-20-14-25-9-7-18(20)8-10-25)11-19(23)22(21)27-15-16-5-3-2-4-6-16/h2-6,11-12,18,20,24H,7-10,13-15H2,1H3

Composition: C (68.29%), H (7.03%), Cl (9.16%), N (7.24%), O (8.27%)

Molar Mass: 386.92

Atom Count: 54

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	386.1761058
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SJSVHBIGZBAXFI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.62
Topological Polar Surface Area	33.73
Polarizability	43.17
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27ClN2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00