3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine

C18H18N2O2 — CID 24951694

IUPAC3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2cc3cc(C)ccc3c(N)n2)cc1OC
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14-13(8-11)9-15(20-18(14)19)12-5-7-16(21-2)17(10-12)22-3/h4-10H,1-3H3,(H2,19,20)
InChIKeyFJBJSPQFRGUAAR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.81
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine

3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine (PubChem CID 24951694) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine
PubChem CID24951694
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2cc3cc(C)ccc3c(N)n2)cc1OC
InChIInChI=1S/C18H18N2O2/c1-11-4-6-14-13(8-11)9-15(20-18(14)19)12-5-7-16(21-2)17(10-12)22-3/h4-10H,1-3H3,(H2,19,20)
InChIKeyFJBJSPQFRGUAAR-UHFFFAOYSA-N
XLogP3.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine (CID 24951694) is 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine is COc1ccc(-c2cc3cc(C)ccc3c(N)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine?
The InChIKey is FJBJSPQFRGUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-4-6-14-13(8-11)9-15(20-18(14)19)12-5-7-16(21-2)17(10-12)22-3/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine?
3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine has a molecular weight of 294.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-methylisoquinolin-1-amine is sourced from PubChem (CID 24951694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).