6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline

C18H21NO2 — CID 69472084

IUPAC6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(N2CCc3cc(OC)ccc3C2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-10-16(20-2)6-7-18(13)19-9-8-14-11-17(21-3)5-4-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySZYBVNVUFFSCNT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds3

About 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline

6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 69472084) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID69472084
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(N2CCc3cc(OC)ccc3C2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-10-16(20-2)6-7-18(13)19-9-8-14-11-17(21-3)5-4-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySZYBVNVUFFSCNT-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
CID 11507918
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole
CID 121083646
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-(4-fluoro-2-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273591
2-(2-fluoro-4-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273552
2-(2-chloro-4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
CID 130319222
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline (CID 69472084) is 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline is COc1ccc(N2CCc3cc(OC)ccc3C2)c(C)c1.
What is the InChIKey of 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is SZYBVNVUFFSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-10-16(20-2)6-7-18(13)19-9-8-14-11-17(21-3)5-4-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 69472084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).