1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

C17H15FN2 — CID 78917800

IUPAC1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H15FN2/c1-19-17(12-7-9-13(18)10-8-12)15-4-2-6-16-14(15)5-3-11-20-16/h2-11,17,19H,1H3
InChIKeyKYYCDQYFLDRPIR-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 78917800) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID78917800
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H15FN2/c1-19-17(12-7-9-13(18)10-8-12)15-4-2-6-16-14(15)5-3-11-20-16/h2-11,17,19H,1H3
InChIKeyKYYCDQYFLDRPIR-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (CID 78917800) is 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1ccc(F)cc1)c1cccc2ncccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is KYYCDQYFLDRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-19-17(12-7-9-13(18)10-8-12)15-4-2-6-16-14(15)5-3-11-20-16/h2-11,17,19H,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 78917800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).