[2-(2H-1,3-benzodioxol-5-yl)ethyl][(3-bromo-4-methoxyphenyl)methyl]amine

[2-(2H-1,3-benzodioxol-5-yl)ethyl][(3-bromo-4-methoxyphenyl)methyl]amine

Formula: C17H18BrNO3

SMILES: COC1=CC=C(CNCCC2=CC=C3OCOC3=C2)C=C1Br

IUPAC: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(3-bromo-4-methoxyphenyl)methyl]amine

InChI: InChI=1S/C17H18BrNO3/c1-20-15-4-3-13(8-14(15)18)10-19-7-6-12-2-5-16-17(9-12)22-11-21-16/h2-5,8-9,19H,6-7,10-11H2,1H3

Composition: C (56.06%), H (4.98%), Br (21.94%), N (3.85%), O (13.18%)

Molar Mass: 364.239

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	363.047006
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RQPOKEOUHNXSGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.53
Topological Polar Surface Area	39.72
Polarizability	34.62
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18BrNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00