8-methoxy-1-methyl-3-phenylisoquinolin-4-amine

C17H16N2O — CID 122424753

IUPAC8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
SMILESCOc1cccc2c(N)c(-c3ccccc3)nc(C)c12
InChIInChI=1S/C17H16N2O/c1-11-15-13(9-6-10-14(15)20-2)16(18)17(19-11)12-7-4-3-5-8-12/h3-10H,18H2,1-2H3
InChIKeyMOBJHKQJLXRPLC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.80
Rot. Bonds2

About 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine

8-methoxy-1-methyl-3-phenylisoquinolin-4-amine (PubChem CID 122424753) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
PubChem CID122424753
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
SMILESCOc1cccc2c(N)c(-c3ccccc3)nc(C)c12
InChIInChI=1S/C17H16N2O/c1-11-15-13(9-6-10-14(15)20-2)16(18)17(19-11)12-7-4-3-5-8-12/h3-10H,18H2,1-2H3
InChIKeyMOBJHKQJLXRPLC-UHFFFAOYSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine
CID 104847077
1-methoxyanthracen-9-amine
CID 23131408
2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 177413638
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
2-acridin-9-yl-6-methoxyaniline
CID 150368327
3-methoxy-2-(2-phenylquinazolin-4-yl)aniline
CID 22397130
8-bromo-1-methyl-3,4-diphenylisoquinoline
CID 138975285
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
6-(2,6-dimethoxyphenyl)-2,4-dimethyl-3-phenylpyridine
CID 122206647
1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
CID 102102468

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine?
The IUPAC name of 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine (CID 122424753) is 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine.
What is the SMILES notation for 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine?
The canonical SMILES for 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine is COc1cccc2c(N)c(-c3ccccc3)nc(C)c12.
What is the InChIKey of 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine?
The InChIKey is MOBJHKQJLXRPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-15-13(9-6-10-14(15)20-2)16(18)17(19-11)12-7-4-3-5-8-12/h3-10H,18H2,1-2H3.
What are the key properties of 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine?
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-3-phenylisoquinolin-4-amine is sourced from PubChem (CID 122424753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).