6-methyl-3-(3-methylphenyl)isoquinolin-1-amine

C17H16N2 — CID 24957048

IUPAC6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
SMILESCc1cccc(-c2cc3cc(C)ccc3c(N)n2)c1
InChIInChI=1S/C17H16N2/c1-11-4-3-5-13(8-11)16-10-14-9-12(2)6-7-15(14)17(18)19-16/h3-10H,1-2H3,(H2,18,19)
InChIKeyYOOOKCHMHIBRCA-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.10
Rot. Bonds1

About 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine

6-methyl-3-(3-methylphenyl)isoquinolin-1-amine (PubChem CID 24957048) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
PubChem CID24957048
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
SMILESCc1cccc(-c2cc3cc(C)ccc3c(N)n2)c1
InChIInChI=1S/C17H16N2/c1-11-4-3-5-13(8-11)16-10-14-9-12(2)6-7-15(14)17(18)19-16/h3-10H,1-2H3,(H2,18,19)
InChIKeyYOOOKCHMHIBRCA-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine (CID 24957048) is 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine is Cc1cccc(-c2cc3cc(C)ccc3c(N)n2)c1.
What is the InChIKey of 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
The InChIKey is YOOOKCHMHIBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-11-4-3-5-13(8-11)16-10-14-9-12(2)6-7-15(14)17(18)19-16/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine?
6-methyl-3-(3-methylphenyl)isoquinolin-1-amine has a molecular weight of 248.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 24957048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).