1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C18H19Cl2NO3 — CID 3327080

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CCNC2c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C18H19Cl2NO3/c1-22-15-5-4-11-12(18(15)24-3)6-7-21-16(11)13-8-10(19)9-14(20)17(13)23-2/h4-5,8-9,16,21H,6-7H2,1-3H3
InChIKeyLGOQEPBPWHHACD-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3327080) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3327080
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CCNC2c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C18H19Cl2NO3/c1-22-15-5-4-11-12(18(15)24-3)6-7-21-16(11)13-8-10(19)9-14(20)17(13)23-2/h4-5,8-9,16,21H,6-7H2,1-3H3
InChIKeyLGOQEPBPWHHACD-UHFFFAOYSA-N
XLogP4.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3908964
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
5-ethoxy-6-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4672498
1-(4-chlorophenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3483670
1-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3961457
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
1-(3,5-dichloro-2-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5019163
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
1-(3-chloro-1-benzothiophen-2-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 71115940
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3327080) is 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1OC)CCNC2c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LGOQEPBPWHHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-22-15-5-4-11-12(18(15)24-3)6-7-21-16(11)13-8-10(19)9-14(20)17(13)23-2/h4-5,8-9,16,21H,6-7H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 368.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3327080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).