(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine

C17H16FN3 — CID 106883959

IUPAC(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1cc(C)c(C(N)c2cccc3nccnc23)c(F)c1
InChIInChI=1S/C17H16FN3/c1-10-8-11(2)15(13(18)9-10)16(19)12-4-3-5-14-17(12)21-7-6-20-14/h3-9,16H,19H2,1-2H3
InChIKeyWVKFPTYWHVLFSM-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.43
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine

(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine (PubChem CID 106883959) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
PubChem CID106883959
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1cc(C)c(C(N)c2cccc3nccnc23)c(F)c1
InChIInChI=1S/C17H16FN3/c1-10-8-11(2)15(13(18)9-10)16(19)12-4-3-5-14-17(12)21-7-6-20-14/h3-9,16H,19H2,1-2H3
InChIKeyWVKFPTYWHVLFSM-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(2-fluoro-4,6-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 106883912
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
CID 105142151
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
CID 106881236
[(2,6-difluorophenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105308105

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine (CID 106883959) is (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine is Cc1cc(C)c(C(N)c2cccc3nccnc23)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is WVKFPTYWHVLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-8-11(2)15(13(18)9-10)16(19)12-4-3-5-14-17(12)21-7-6-20-14/h3-9,16H,19H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine?
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine has a molecular weight of 281.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 106883959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).