2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H13F2N3 — CID 113329452

IUPAC2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cccc(F)c2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-17-6-5-12(18-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-6,11H,7,16H2,1H3
InChIKeyOMVFPKYGTJTQOT-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.31
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 113329452) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID113329452
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cccc(F)c2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-17-6-5-12(18-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-6,11H,7,16H2,1H3
InChIKeyOMVFPKYGTJTQOT-UHFFFAOYSA-N
XLogP2.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260420
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031185
2-(2,3-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105137687
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 113329452) is 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1nccc(C(N)Cc2cccc(F)c2F)n1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is OMVFPKYGTJTQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-17-6-5-12(18-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-6,11H,7,16H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 113329452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).