7-methyl-3-(2-methylphenyl)isoquinolin-1-amine

C17H16N2 — CID 24956688

IUPAC7-methyl-3-(2-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc2cc(-c3ccccc3C)nc(N)c2c1
InChIInChI=1S/C17H16N2/c1-11-7-8-13-10-16(19-17(18)15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,18,19)
InChIKeyOWUNYNLKBWKRHU-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.10
Rot. Bonds1

About 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine

7-methyl-3-(2-methylphenyl)isoquinolin-1-amine (PubChem CID 24956688) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methyl-3-(2-methylphenyl)isoquinolin-1-amine
PubChem CID24956688
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name7-methyl-3-(2-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc2cc(-c3ccccc3C)nc(N)c2c1
InChIInChI=1S/C17H16N2/c1-11-7-8-13-10-16(19-17(18)15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,18,19)
InChIKeyOWUNYNLKBWKRHU-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 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine (CID 24956688) is 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine is Cc1ccc2cc(-c3ccccc3C)nc(N)c2c1.
What is the InChIKey of 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine?
The InChIKey is OWUNYNLKBWKRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-11-7-8-13-10-16(19-17(18)15(13)9-11)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine?
7-methyl-3-(2-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 7-methyl-3-(2-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 24956688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).