(2H-1,3-benzodioxol-5-ylmethyl)[(5-bromo-2-methoxyphenyl)methyl]amine

(2H-1,3-benzodioxol-5-ylmethyl)[(5-bromo-2-methoxyphenyl)methyl]amine

Formula: C16H16BrNO3

SMILES: COC1=CC=C(Br)C=C1CNCC1=CC=C2OCOC2=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(5-bromo-2-methoxyphenyl)methyl]amine

InChI: InChI=1S/C16H16BrNO3/c1-19-14-5-3-13(17)7-12(14)9-18-8-11-2-4-15-16(6-11)21-10-20-15/h2-7,18H,8-10H2,1H3

Composition: C (54.87%), H (4.61%), Br (22.82%), N (4.00%), O (13.71%)

Molar Mass: 350.212

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	349.031356
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OCPJHQWEAQTFPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.77
Topological Polar Surface Area	39.72
Polarizability	32.86
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16BrNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00