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(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 54417-53-7

Formula: C20H26ClNO4

SMILES: Cl.COC1=CC=C(C[C@H]2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC

IUPAC: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

InChI: InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H/t16-;/m1./s1

Composition: C (63.24%), H (6.90%), Cl (9.33%), N (3.69%), O (16.85%)

Molar Mass: 379.88

Atom Count: 52

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 379.155036
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VMPLLPIDRGXFTQ-PKLMIRHRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.51
Topological Polar Surface Area 48.95
Polarizability 38
Ring Count 3
Rotatable Bond Count 6

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