4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid

C12H15Cl2NO2 — CID 43377886

IUPAC4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c13-10-4-3-9(11(14)8-10)5-7-15-6-1-2-12(16)17/h3-4,8,15H,1-2,5-7H2,(H,16,17)
InChIKeyRNJAXSMZYOSMIT-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.99
Rot. Bonds7

About 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid

4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid (PubChem CID 43377886) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
PubChem CID43377886
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c13-10-4-3-9(11(14)8-10)5-7-15-6-1-2-12(16)17/h3-4,8,15H,1-2,5-7H2,(H,16,17)
InChIKeyRNJAXSMZYOSMIT-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77025238
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid (CID 43377886) is 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid is O=C(O)CCCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid?
The InChIKey is RNJAXSMZYOSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-10-4-3-9(11(14)8-10)5-7-15-6-1-2-12(16)17/h3-4,8,15H,1-2,5-7H2,(H,16,17).
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid?
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid has a molecular weight of 276.16 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid is sourced from PubChem (CID 43377886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).