1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine

C10H13BrFN — CID 117367070

IUPAC1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
SMILESCCc1cc(C(C)N)cc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyXGMXVXUZOMBOGD-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine

1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine (PubChem CID 117367070) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
PubChem CID117367070
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
SMILESCCc1cc(C(C)N)cc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyXGMXVXUZOMBOGD-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
3-(3-bromo-5-ethyl-4-fluorophenyl)-2-methylpropanoic acid
CID 117466920
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
4-(3-bromo-2-fluoro-5-propan-2-ylphenyl)butanoic acid
CID 117488099
(3-bromo-5-ethyl-2-fluorophenyl)methanamine
CID 117335693
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]ethanamine
CID 117471831
1-(3,5-dibromophenyl)ethanamine
CID 23147757
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
CID 115482082
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
CID 129130079

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine (CID 117367070) is 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine is CCc1cc(C(C)N)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine?
The InChIKey is XGMXVXUZOMBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-6H,3,13H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine?
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine has a molecular weight of 246.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine is sourced from PubChem (CID 117367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).