(4-fluorophenyl)-quinoxalin-5-ylmethanamine

C15H12FN3 — CID 105087841

IUPAC(4-fluorophenyl)-quinoxalin-5-ylmethanamine
SMILESNC(c1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C15H12FN3/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-9,14H,17H2
InChIKeyLFJUTIFIQWIMBR-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.82
Rot. Bonds2

About (4-fluorophenyl)-quinoxalin-5-ylmethanamine

(4-fluorophenyl)-quinoxalin-5-ylmethanamine (PubChem CID 105087841) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is (4-fluorophenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-quinoxalin-5-ylmethanamine
PubChem CID105087841
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name(4-fluorophenyl)-quinoxalin-5-ylmethanamine
SMILESNC(c1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C15H12FN3/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-9,14H,17H2
InChIKeyLFJUTIFIQWIMBR-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
CID 105142151
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
(4-fluorophenyl)-phenylmethanamine
CID 11183272
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
[(2,6-difluorophenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105308105
bis(4-fluorophenyl)methanamine
CID 10955039

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (4-fluorophenyl)-quinoxalin-5-ylmethanamine (CID 105087841) is (4-fluorophenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (4-fluorophenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (4-fluorophenyl)-quinoxalin-5-ylmethanamine is NC(c1ccc(F)cc1)c1cccc2nccnc12.
What is the InChIKey of (4-fluorophenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is LFJUTIFIQWIMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-9,14H,17H2.
What are the key properties of (4-fluorophenyl)-quinoxalin-5-ylmethanamine?
(4-fluorophenyl)-quinoxalin-5-ylmethanamine has a molecular weight of 253.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105087841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).