1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

CAS: 21088-15-3

Formula: C24H33NO4

SMILES: CCOC1=CC=C(CC2NCCC3=C2C=C(OCC)C(OCC)=C3)C=C1OCC

IUPAC: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1/C24H33NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,14-16,20,25H,5-8,11-13H2,1-4H3

Composition: C (72.15%), H (8.33%), N (3.51%), O (16.02%)

Molar Mass: 399.531

Atom Count: 62

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	399.240958547
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VQAZFFDEYWLNPR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.5
Topological Polar Surface Area	48.95
Polarizability	45.37
Ring Count	3
Rotatable Bond Count	10

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