(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine

C16H14FN3O — CID 105174708

IUPAC(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
SMILESCOc1cccc(C(N)c2cccc3nccnc23)c1F
InChIInChI=1S/C16H14FN3O/c1-21-13-7-3-4-10(14(13)17)15(18)11-5-2-6-12-16(11)20-9-8-19-12/h2-9,15H,18H2,1H3
InChIKeyDRPDZISJUCOZIX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.83
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine

(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine (PubChem CID 105174708) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
PubChem CID105174708
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
SMILESCOc1cccc(C(N)c2cccc3nccnc23)c1F
InChIInChI=1S/C16H14FN3O/c1-21-13-7-3-4-10(14(13)17)15(18)11-5-2-6-12-16(11)20-9-8-19-12/h2-9,15H,18H2,1H3
InChIKeyDRPDZISJUCOZIX-UHFFFAOYSA-N
XLogP2.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
[(2-methoxyphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105285741
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine (CID 105174708) is (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine is COc1cccc(C(N)c2cccc3nccnc23)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is DRPDZISJUCOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-13-7-3-4-10(14(13)17)15(18)11-5-2-6-12-16(11)20-9-8-19-12/h2-9,15H,18H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine?
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine has a molecular weight of 283.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105174708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).