ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

CAS: 14028-68-3

Formula: C15H21NO4

SMILES: CCOC(=O)CC1NCCC2=CC(OC)=C(OC)C=C12

IUPAC: ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

InChI: InChI=1/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RLUWHGCQILMZMC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.51
Topological Polar Surface Area	56.79
Polarizability	29.75
Ring Count	2
Rotatable Bond Count	6

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