1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine

C19H20N2 — CID 63939404

IUPAC1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cncc2ccccc12
InChIInChI=1S/C19H20N2/c1-14-7-9-15(10-8-14)11-19(20-2)18-13-21-12-16-5-3-4-6-17(16)18/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyQGQWUNJTASWBEV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.05
Rot. Bonds4

About 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine

1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 63939404) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID63939404
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cncc2ccccc12
InChIInChI=1S/C19H20N2/c1-14-7-9-15(10-8-14)11-19(20-2)18-13-21-12-16-5-3-4-6-17(16)18/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyQGQWUNJTASWBEV-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine (CID 63939404) is 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is QGQWUNJTASWBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-7-9-15(10-8-14)11-19(20-2)18-13-21-12-16-5-3-4-6-17(16)18/h3-10,12-13,19-20H,11H2,1-2H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine?
1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63939404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).