3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine

C18H18N2 — CID 24957049

IUPAC3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine
SMILESCc1ccc2c(N)nc(-c3c(C)cccc3C)cc2c1
InChIInChI=1S/C18H18N2/c1-11-7-8-15-14(9-11)10-16(20-18(15)19)17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H2,19,20)
InChIKeyWHBBLEWZBTYLIP-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.41
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine

3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine (PubChem CID 24957049) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine
PubChem CID24957049
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine
SMILESCc1ccc2c(N)nc(-c3c(C)cccc3C)cc2c1
InChIInChI=1S/C18H18N2/c1-11-7-8-15-14(9-11)10-16(20-18(15)19)17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H2,19,20)
InChIKeyWHBBLEWZBTYLIP-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine (CID 24957049) is 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine is Cc1ccc2c(N)nc(-c3c(C)cccc3C)cc2c1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine?
The InChIKey is WHBBLEWZBTYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-11-7-8-15-14(9-11)10-16(20-18(15)19)17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine?
3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine has a molecular weight of 262.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-6-methylisoquinolin-1-amine is sourced from PubChem (CID 24957049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).