2-(4-bromo-3,5-dimethylanilino)acetic acid

C10H12BrNO2 — CID 107573485

IUPAC2-(4-bromo-3,5-dimethylanilino)acetic acid
SMILESCc1cc(NCC(=O)O)cc(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(13)14)4-7(2)10(6)11/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyGLWSBWIFJBPKLW-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylanilino)acetic acid

2-(4-bromo-3,5-dimethylanilino)acetic acid (PubChem CID 107573485) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)acetic acid
PubChem CID107573485
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(4-bromo-3,5-dimethylanilino)acetic acid
SMILESCc1cc(NCC(=O)O)cc(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(13)14)4-7(2)10(6)11/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyGLWSBWIFJBPKLW-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3,5-dimethylanilino)methyl]prop-2-enoic acid
CID 107575583
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 107573574
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
CID 107571632
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylic acid
CID 107572270
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
methyl 3-(4-bromo-3,5-dimethylanilino)propanoate
CID 107573522
2-(4-bromoanilino)acetic acid
CID 6917281
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)acetic acid (CID 107573485) is 2-(4-bromo-3,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)acetic acid is Cc1cc(NCC(=O)O)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)acetic acid?
The InChIKey is GLWSBWIFJBPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(13)14)4-7(2)10(6)11/h3-4,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)acetic acid?
2-(4-bromo-3,5-dimethylanilino)acetic acid has a molecular weight of 258.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)acetic acid is sourced from PubChem (CID 107573485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).