2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine

C15H17BrFN3O — CID 102951934

IUPAC2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1cc(OC)ncn1
InChIInChI=1S/C15H17BrFN3O/c1-3-18-13(14-8-15(21-2)20-9-19-14)7-10-6-11(17)4-5-12(10)16/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyLGXFRPCJYMPPGS-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102951934) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102951934
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1cc(OC)ncn1
InChIInChI=1S/C15H17BrFN3O/c1-3-18-13(14-8-15(21-2)20-9-19-14)7-10-6-11(17)4-5-12(10)16/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyLGXFRPCJYMPPGS-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843716
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 102951934) is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine is CCNC(Cc1cc(F)ccc1Br)c1cc(OC)ncn1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is LGXFRPCJYMPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-3-18-13(14-8-15(21-2)20-9-19-14)7-10-6-11(17)4-5-12(10)16/h4-6,8-9,13,18H,3,7H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102951934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).