1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine

C16H13F2N3 — CID 105143729

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)c1cccc2nccnc12
InChIInChI=1S/C16H13F2N3/c1-19-15(11-6-5-10(17)9-13(11)18)12-3-2-4-14-16(12)21-8-7-20-14/h2-9,15,19H,1H3
InChIKeyKSZRODQOVNBIFI-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine

1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine (PubChem CID 105143729) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
PubChem CID105143729
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)c1cccc2nccnc12
InChIInChI=1S/C16H13F2N3/c1-19-15(11-6-5-10(17)9-13(11)18)12-3-2-4-14-16(12)21-8-7-20-14/h2-9,15,19H,1H3
InChIKeyKSZRODQOVNBIFI-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105102445
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
N-methyl-1-phenyl-1-quinoxalin-5-ylmethanamine
CID 105084067
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
[(2,6-difluorophenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105308105
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine (CID 105143729) is 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine is CNC(c1ccc(F)cc1F)c1cccc2nccnc12.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The InChIKey is KSZRODQOVNBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-19-15(11-6-5-10(17)9-13(11)18)12-3-2-4-14-16(12)21-8-7-20-14/h2-9,15,19H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine has a molecular weight of 285.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105143729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).