1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine

C17H15FN2 — CID 62812806

IUPAC1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc3cnccc23)cc1F
InChIInChI=1S/C17H15FN2/c1-19-10-14-6-5-12(9-17(14)18)15-4-2-3-13-11-20-8-7-16(13)15/h2-9,11,19H,10H2,1H3
InChIKeyYRBIJYCWSYJQSK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine

1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine (PubChem CID 62812806) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
PubChem CID62812806
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc3cnccc23)cc1F
InChIInChI=1S/C17H15FN2/c1-19-10-14-6-5-12(9-17(14)18)15-4-2-3-13-11-20-8-7-16(13)15/h2-9,11,19H,10H2,1H3
InChIKeyYRBIJYCWSYJQSK-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine (CID 62812806) is 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine is CNCc1ccc(-c2cccc3cnccc23)cc1F.
What is the InChIKey of 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine?
The InChIKey is YRBIJYCWSYJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-19-10-14-6-5-12(9-17(14)18)15-4-2-3-13-11-20-8-7-16(13)15/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine?
1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 62812806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).