2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine

C14H15BrFN3 — CID 102923349

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cncnc1
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(11-7-17-9-18-8-11)6-10-5-12(15)3-4-13(10)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyXQPBMFVRJKQMGU-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine (PubChem CID 102923349) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
PubChem CID102923349
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cncnc1
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(11-7-17-9-18-8-11)6-10-5-12(15)3-4-13(10)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyXQPBMFVRJKQMGU-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 62607697
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine (CID 102923349) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine is CCNC(Cc1cc(Br)ccc1F)c1cncnc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The InChIKey is XQPBMFVRJKQMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-19-14(11-7-17-9-18-8-11)6-10-5-12(15)3-4-13(10)16/h3-5,7-9,14,19H,2,6H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).