3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

Formula: C17H19NO4

SMILES: COC1=CC=C(CNC2=CC(=CC=C2C)C(O)=O)C=C1OC

IUPAC: 3-{[(3,4-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

InChI: InChI=1S/C17H19NO4/c1-11-4-6-13(17(19)20)9-14(11)18-10-12-5-7-15(21-2)16(8-12)22-3/h4-9,18H,10H2,1-3H3,(H,19,20)

Composition: C (67.76%), H (6.36%), N (4.65%), O (21.24%)

Molar Mass: 301.342

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.131408096
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XLGNSVGIHRUMRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.09
Topological Polar Surface Area	67.79
Polarizability	32.03
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00