1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine

C18H18N2 — CID 103143946

IUPAC1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc3ccncc23)c1
InChIInChI=1S/C18H18N2/c1-13(19-2)15-6-3-7-16(11-15)17-8-4-5-14-9-10-20-12-18(14)17/h3-13,19H,1-2H3
InChIKeyJMQISPZZGJCEST-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.18
Rot. Bonds3

About 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine

1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine (PubChem CID 103143946) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
PubChem CID103143946
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc3ccncc23)c1
InChIInChI=1S/C18H18N2/c1-13(19-2)15-6-3-7-16(11-15)17-8-4-5-14-9-10-20-12-18(14)17/h3-13,19H,1-2H3
InChIKeyJMQISPZZGJCEST-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine (CID 103143946) is 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine is CNC(C)c1cccc(-c2cccc3ccncc23)c1.
What is the InChIKey of 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine?
The InChIKey is JMQISPZZGJCEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13(19-2)15-6-3-7-16(11-15)17-8-4-5-14-9-10-20-12-18(14)17/h3-13,19H,1-2H3.
What are the key properties of 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine?
1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine has a molecular weight of 262.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 103143946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).