2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine

C13H13BrFN3 — CID 62600239

IUPAC2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C13H13BrFN3/c1-16-12(13-17-5-2-6-18-13)7-9-3-4-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyOXSAJGXOECUIKM-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine

2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine (PubChem CID 62600239) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
PubChem CID62600239
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C13H13BrFN3/c1-16-12(13-17-5-2-6-18-13)7-9-3-4-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyOXSAJGXOECUIKM-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115844772
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine (CID 62600239) is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine is CNC(Cc1ccc(Br)cc1F)c1ncccn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The InChIKey is OXSAJGXOECUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-16-12(13-17-5-2-6-18-13)7-9-3-4-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine has a molecular weight of 310.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62600239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).