1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol

C18H20N2O3 — CID 146161521

IUPAC1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
SMILESCOc1ccc(CC2=NCCc3ccc(OC)c(O)c32)cc1N
InChIInChI=1S/C18H20N2O3/c1-22-15-5-3-11(9-13(15)19)10-14-17-12(7-8-20-14)4-6-16(23-2)18(17)21/h3-6,9,21H,7-8,10,19H2,1-2H3
InChIKeyYIDKAPTULBIFLO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.58
Rot. Bonds4

About 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol

1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol (PubChem CID 146161521) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
PubChem CID146161521
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
SMILESCOc1ccc(CC2=NCCc3ccc(OC)c(O)c32)cc1N
InChIInChI=1S/C18H20N2O3/c1-22-15-5-3-11(9-13(15)19)10-14-17-12(7-8-20-14)4-6-16(23-2)18(17)21/h3-6,9,21H,7-8,10,19H2,1-2H3
InChIKeyYIDKAPTULBIFLO-UHFFFAOYSA-N
XLogP2.58
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 11995365
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
CID 135817515
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methoxyaniline
CID 43153045
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-methoxyaniline
CID 82478547
N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 141346456
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol (CID 146161521) is 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol is COc1ccc(CC2=NCCc3ccc(OC)c(O)c32)cc1N.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol?
The InChIKey is YIDKAPTULBIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-5-3-11(9-13(15)19)10-14-17-12(7-8-20-14)4-6-16(23-2)18(17)21/h3-6,9,21H,7-8,10,19H2,1-2H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol?
1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol has a molecular weight of 312.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol is sourced from PubChem (CID 146161521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).