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

C15H17F2N3 — CID 105406857

IUPAC2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1
InChIInChI=1S/C15H17F2N3/c1-3-18-14(15-19-8-10(2)9-20-15)6-11-4-12(16)7-13(17)5-11/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyVOTRACGJTXMVDM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.96
Rot. Bonds5

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

2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine (PubChem CID 105406857) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
PubChem CID105406857
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1
InChIInChI=1S/C15H17F2N3/c1-3-18-14(15-19-8-10(2)9-20-15)6-11-4-12(16)7-13(17)5-11/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyVOTRACGJTXMVDM-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 105406043
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine (CID 105406857) is 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ncc(C)cn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The InChIKey is VOTRACGJTXMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-3-18-14(15-19-8-10(2)9-20-15)6-11-4-12(16)7-13(17)5-11/h4-5,7-9,14,18H,3,6H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine?
2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.96, 5 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-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 105406857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).