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

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

Formula: C27H31NO5

SMILES: CCOC1=CC=C(CN(CCC2=CC=C3OCOC3=C2)CC2=CC(OC)=CC(OC)=C2)C=C1

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

InChI: InChI=1S/C27H31NO5/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-13-24(29-2)16-25(14-22)30-3)12-11-20-7-10-26-27(15-20)33-19-32-26/h5-10,13-16H,4,11-12,17-19H2,1-3H3

Composition: C (72.14%), H (6.95%), N (3.12%), O (17.79%)

Molar Mass: 449.547

Atom Count: 64

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	449.220223102
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	AROOQDCSBBDXKM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.49
Topological Polar Surface Area	49.39
Polarizability	50.18
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H31NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00