4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline

C18H21NO2 — CID 10540962

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2CNCc3cccc(C)c32)cc1OC
InChIInChI=1S/C18H21NO2/c1-12-5-4-6-14-10-19-11-15(18(12)14)13-7-8-16(20-2)17(9-13)21-3/h4-9,15,19H,10-11H2,1-3H3
InChIKeyUJNANLDNKXXZAP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline

4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10540962) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID10540962
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2CNCc3cccc(C)c32)cc1OC
InChIInChI=1S/C18H21NO2/c1-12-5-4-6-14-10-19-11-15(18(12)14)13-7-8-16(20-2)17(9-13)21-3/h4-9,15,19H,10-11H2,1-3H3
InChIKeyUJNANLDNKXXZAP-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 155598161
4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
CID 7055092
methyl 5-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
CID 82585288
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline (CID 10540962) is 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C2CNCc3cccc(C)c32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UJNANLDNKXXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-5-4-6-14-10-19-11-15(18(12)14)13-7-8-16(20-2)17(9-13)21-3/h4-9,15,19H,10-11H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10540962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).