2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid

C13H11Br2NO3 — CID 66527849

IUPAC2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H11Br2NO3/c14-8-1-3-10(11(15)5-8)12-4-2-9(19-12)6-16-7-13(17)18/h1-5,16H,6-7H2,(H,17,18)
InChIKeyUQAVMTOHHLLRRT-UHFFFAOYSA-N
MW389.04 g/mol
LogP3.65
Rot. Bonds5

About 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid

2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid (PubChem CID 66527849) has the molecular formula C13H11Br2NO3 and a molecular weight of 389.04 g/mol. Its IUPAC name is 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
PubChem CID66527849
Molecular FormulaC13H11Br2NO3
Molecular Weight389.04 g/mol
Exact Mass386.91
IUPAC Name2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H11Br2NO3/c14-8-1-3-10(11(15)5-8)12-4-2-9(19-12)6-16-7-13(17)18/h1-5,16H,6-7H2,(H,17,18)
InChIKeyUQAVMTOHHLLRRT-UHFFFAOYSA-N
XLogP3.65
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.04
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 17213116
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid (CID 66527849) is 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid is O=C(O)CNCc1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid?
The InChIKey is UQAVMTOHHLLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO3/c14-8-1-3-10(11(15)5-8)12-4-2-9(19-12)6-16-7-13(17)18/h1-5,16H,6-7H2,(H,17,18).
What are the key properties of 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid?
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid has a molecular weight of 389.04 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid is sourced from PubChem (CID 66527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).