2-[2-bromo-4-({[2-(dimethylamino)ethyl]amino}methyl)-6-methoxyphenoxy]acetonitrile

2-[2-bromo-4-({[2-(dimethylamino)ethyl]amino}methyl)-6-methoxyphenoxy]acetonitrile

Formula: C14H20BrN3O2

SMILES: COC1=CC(CNCCN(C)C)=CC(Br)=C1OCC#N

IUPAC: 2-[2-bromo-4-({[2-(dimethylamino)ethyl]amino}methyl)-6-methoxyphenoxy]acetonitrile

InChI: InChI=1S/C14H20BrN3O2/c1-18(2)6-5-17-10-11-8-12(15)14(20-7-4-16)13(9-11)19-3/h8-9,17H,5-7,10H2,1-3H3

Composition: C (49.13%), H (5.89%), Br (23.35%), N (12.28%), O (9.35%)

Molar Mass: 342.237

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	341.07389
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CCSORUOCATVIHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.94
Topological Polar Surface Area	57.52
Polarizability	32.09
Ring Count	1
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H20BrN3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00