1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C20H25NO4 — CID 141227278

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2NCCc3c2ccc(OC)c3OC)c1OC
InChIInChI=1S/C20H25NO4/c1-22-17-7-5-6-13(19(17)24-3)12-16-14-8-9-18(23-2)20(25-4)15(14)10-11-21-16/h5-9,16,21H,10-12H2,1-4H3
InChIKeyPOHFNMBRLPGKMN-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.15
Rot. Bonds6

About 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 141227278) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID141227278
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2NCCc3c2ccc(OC)c3OC)c1OC
InChIInChI=1S/C20H25NO4/c1-22-17-7-5-6-13(19(17)24-3)12-16-14-8-9-18(23-2)20(25-4)15(14)10-11-21-16/h5-9,16,21H,10-12H2,1-4H3
InChIKeyPOHFNMBRLPGKMN-UHFFFAOYSA-N
XLogP3.15
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 46842613
1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777920
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
1-[(4-methoxynaphthalen-1-yl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10713288
1-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 171352699
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42603579
1-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3961457
1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3327080
5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781714
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6919090
5-methoxy-1-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054750

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 141227278) is 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cccc(CC2NCCc3c2ccc(OC)c3OC)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is POHFNMBRLPGKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-22-17-7-5-6-13(19(17)24-3)12-16-14-8-9-18(23-2)20(25-4)15(14)10-11-21-16/h5-9,16,21H,10-12H2,1-4H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 343.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 141227278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).