(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine

C16H14FN3 — CID 107357097

IUPAC(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14FN3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-9,16H,18H2,1H3
InChIKeyROTDAMYXEKQTME-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.13
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine

(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine (PubChem CID 107357097) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
PubChem CID107357097
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14FN3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-9,16H,18H2,1H3
InChIKeyROTDAMYXEKQTME-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357861
(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357093
(2-fluoro-5-methylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 55221688
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
CID 107357509
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
CID 107356865
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
CID 107357691
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine (CID 107357097) is (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine is Cc1ccc(F)c(C(N)c2cnc3ccccc3n2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine?
The InChIKey is ROTDAMYXEKQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-9,16H,18H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine?
(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine has a molecular weight of 267.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107357097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).