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

C16H14FN3 — CID 107357093

IUPAC(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
SMILESCc1cc(F)ccc1C(N)c1cnc2ccccc2n1
InChIInChI=1S/C16H14FN3/c1-10-8-11(17)6-7-12(10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-9,16H,18H2,1H3
InChIKeyAZKKUNBBOYYYET-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.13
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine

(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine (PubChem CID 107357093) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
PubChem CID107357093
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
SMILESCc1cc(F)ccc1C(N)c1cnc2ccccc2n1
InChIInChI=1S/C16H14FN3/c1-10-8-11(17)6-7-12(10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-9,16H,18H2,1H3
InChIKeyAZKKUNBBOYYYET-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

(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754987
(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357097
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
CID 107357509
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864
2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2,4-dimethylphenyl)-quinolin-2-ylmethanamine
CID 63222466
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine (CID 107357093) is (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine is Cc1cc(F)ccc1C(N)c1cnc2ccccc2n1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine?
The InChIKey is AZKKUNBBOYYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-8-11(17)6-7-12(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 (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine?
(4-fluoro-2-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 (4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107357093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).