3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine

C17H16N2O — CID 22503663

IUPAC3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
SMILESCNc1nc(-c2ccc(OC)cc2)cc2ccccc12
InChIInChI=1S/C17H16N2O/c1-18-17-15-6-4-3-5-13(15)11-16(19-17)12-7-9-14(20-2)10-8-12/h3-11H,1-2H3,(H,18,19)
InChIKeyLVRJGDBEKJFZLI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.95
Rot. Bonds3

About 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine

3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine (PubChem CID 22503663) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
PubChem CID22503663
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
SMILESCNc1nc(-c2ccc(OC)cc2)cc2ccccc12
InChIInChI=1S/C17H16N2O/c1-18-17-15-6-4-3-5-13(15)11-16(19-17)12-7-9-14(20-2)10-8-12/h3-11H,1-2H3,(H,18,19)
InChIKeyLVRJGDBEKJFZLI-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine (CID 22503663) is 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine is CNc1nc(-c2ccc(OC)cc2)cc2ccccc12.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine?
The InChIKey is LVRJGDBEKJFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18-17-15-6-4-3-5-13(15)11-16(19-17)12-7-9-14(20-2)10-8-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine?
3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine has a molecular weight of 264.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methylisoquinolin-1-amine is sourced from PubChem (CID 22503663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).