2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine

C14H15F2N3 — CID 105406856

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1
InChIInChI=1S/C14H15F2N3/c1-9-7-18-14(19-8-9)13(17-2)5-10-3-11(15)6-12(16)4-10/h3-4,6-8,13,17H,5H2,1-2H3
InChIKeyYSWINFXCSJKVJV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine (PubChem CID 105406856) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
PubChem CID105406856
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1
InChIInChI=1S/C14H15F2N3/c1-9-7-18-14(19-8-9)13(17-2)5-10-3-11(15)6-12(16)4-10/h3-4,6-8,13,17H,5H2,1-2H3
InChIKeyYSWINFXCSJKVJV-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406857
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321
2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
CID 105406867

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine (CID 105406856) is 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The InChIKey is YSWINFXCSJKVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-7-18-14(19-8-9)13(17-2)5-10-3-11(15)6-12(16)4-10/h3-4,6-8,13,17H,5H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 105406856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).