2-[2-(4-bromophenoxy)ethylamino]acetic acid

C10H12BrNO3 — CID 43466024

IUPAC2-[2-(4-bromophenoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-8-1-3-9(4-2-8)15-6-5-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyMRBVHFBOEGRLRL-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.50
Rot. Bonds6

About 2-[2-(4-bromophenoxy)ethylamino]acetic acid

2-[2-(4-bromophenoxy)ethylamino]acetic acid (PubChem CID 43466024) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethylamino]acetic acid
PubChem CID43466024
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-[2-(4-bromophenoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-8-1-3-9(4-2-8)15-6-5-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyMRBVHFBOEGRLRL-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethylamino)acetic acid
CID 13236095
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
2-[2-[2-(4-bromophenoxy)ethoxy]ethylamino]ethanol;oxalic acid
CID 2869727
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
3-[[2-(4-bromophenoxy)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019494
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]acetic acid?
The IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]acetic acid (CID 43466024) is 2-[2-(4-bromophenoxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethylamino]acetic acid is O=C(O)CNCCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethylamino]acetic acid?
The InChIKey is MRBVHFBOEGRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-1-3-9(4-2-8)15-6-5-12-7-10(13)14/h1-4,12H,5-7H2,(H,13,14).
What are the key properties of 2-[2-(4-bromophenoxy)ethylamino]acetic acid?
2-[2-(4-bromophenoxy)ethylamino]acetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethylamino]acetic acid is sourced from PubChem (CID 43466024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).