2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride

C10H12Cl3NO2 — CID 42935480

IUPAC2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1ccc(Cl)cc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H11Cl2NO2.ClH/c1-6(10(14)15)13-5-7-2-3-8(11)4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H
InChIKeyWESPDAIJFOKLLG-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride

2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride (PubChem CID 42935480) has the molecular formula C10H12Cl3NO2 and a molecular weight of 284.57 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride
PubChem CID42935480
Molecular FormulaC10H12Cl3NO2
Molecular Weight284.57 g/mol
Exact Mass282.99
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1ccc(Cl)cc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H11Cl2NO2.ClH/c1-6(10(14)15)13-5-7-2-3-8(11)4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H
InChIKeyWESPDAIJFOKLLG-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride (CID 42935480) is 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride is CC(NCc1ccc(Cl)cc1Cl)C(=O)O.Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride?
The InChIKey is WESPDAIJFOKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2.ClH/c1-6(10(14)15)13-5-7-2-3-8(11)4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H.
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride?
2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride has a molecular weight of 284.57 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 42935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).