(2H-1,3-benzodioxol-5-ylmethyl)({[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl})amine

(2H-1,3-benzodioxol-5-ylmethyl)({[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl})amine

Formula: C22H21BrN2O4

SMILES: COC1=CC(CNCC2=CC=C3OCOC3=C2)=CC(Br)=C1OCC1=CC=CN=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl]({3-bromo-5-methoxy-4-[(pyridin-3-yl)methoxy]phenyl}methyl)amine

InChI: InChI=1S/C22H21BrN2O4/c1-26-21-9-17(7-18(23)22(21)27-13-16-3-2-6-24-11-16)12-25-10-15-4-5-19-20(8-15)29-14-28-19/h2-9,11,25H,10,12-14H2,1H3

Composition: C (57.78%), H (4.63%), Br (17.47%), N (6.13%), O (13.99%)

Molar Mass: 457.324

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	456.06847
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UMUMRQFXAPQWAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.69
Topological Polar Surface Area	61.84
Polarizability	44.07
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00