1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine

C12H17BrFN — CID 114906558

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyPLPVQXXXCYIRAH-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine

1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine (PubChem CID 114906558) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
PubChem CID114906558
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyPLPVQXXXCYIRAH-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine (CID 114906558) is 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine?
The InChIKey is PLPVQXXXCYIRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine?
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 114906558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).