2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid

C10H11BrFNO2 — CID 82964590

IUPAC2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(13-5-10(14)15)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeySSHLNYNYOQPRIY-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid

2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid (PubChem CID 82964590) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
PubChem CID82964590
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(13-5-10(14)15)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeySSHLNYNYOQPRIY-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 82963734
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
tert-butyl N-[3-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]carbamate
CID 103781125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid (CID 82964590) is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid is CC(NCC(=O)O)c1cc(Br)ccc1F.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid?
The InChIKey is SSHLNYNYOQPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(13-5-10(14)15)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid?
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid has a molecular weight of 276.11 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid is sourced from PubChem (CID 82964590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).