2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C18H21NO2 — CID 791234

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-17-8-7-16(18(11-17)21-2)13-19-10-9-14-5-3-4-6-15(14)12-19/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyKDFFRQMHPCMUQQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 791234) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID791234
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-17-8-7-16(18(11-17)21-2)13-19-10-9-14-5-3-4-6-15(14)12-19/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyKDFFRQMHPCMUQQ-UHFFFAOYSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
CID 62018768
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111878816
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 791234) is 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CN2CCc3ccccc3C2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is KDFFRQMHPCMUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-8-7-16(18(11-17)21-2)13-19-10-9-14-5-3-4-6-15(14)12-19/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 791234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).