2-[5-bromo-2-(dimethylamino)anilino]propanoic acid

C11H15BrN2O2 — CID 66174739

IUPAC2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
SMILESCC(Nc1cc(Br)ccc1N(C)C)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-7(11(15)16)13-9-6-8(12)4-5-10(9)14(2)3/h4-7,13H,1-3H3,(H,15,16)
InChIKeyZNKGYAWBLVYMSS-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.40
Rot. Bonds4

About 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid

2-[5-bromo-2-(dimethylamino)anilino]propanoic acid (PubChem CID 66174739) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
PubChem CID66174739
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
SMILESCC(Nc1cc(Br)ccc1N(C)C)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-7(11(15)16)13-9-6-8(12)4-5-10(9)14(2)3/h4-7,13H,1-3H3,(H,15,16)
InChIKeyZNKGYAWBLVYMSS-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
2-(4-bromo-2-cyanoanilino)propanoic acid
CID 82708154
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid?
The IUPAC name of 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid (CID 66174739) is 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid.
What is the SMILES notation for 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid?
The canonical SMILES for 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid is CC(Nc1cc(Br)ccc1N(C)C)C(=O)O.
What is the InChIKey of 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid?
The InChIKey is ZNKGYAWBLVYMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(11(15)16)13-9-6-8(12)4-5-10(9)14(2)3/h4-7,13H,1-3H3,(H,15,16).
What are the key properties of 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid?
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(dimethylamino)anilino]propanoic acid is sourced from PubChem (CID 66174739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).