2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride

C18H21Cl3N2O3 — CID 25230838

IUPAC2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
SMILESCl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O3.ClH/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;/h1-7,22H,8-12,21H2;1H
InChIKeySICARKCFEBVGAD-UHFFFAOYSA-N
MW419.74 g/mol
LogP4.22
Rot. Bonds9

About 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride

2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride (PubChem CID 25230838) has the molecular formula C18H21Cl3N2O3 and a molecular weight of 419.74 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
PubChem CID25230838
Molecular FormulaC18H21Cl3N2O3
Molecular Weight419.74 g/mol
Exact Mass418.06
IUPAC Name2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
SMILESCl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O3.ClH/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;/h1-7,22H,8-12,21H2;1H
InChIKeySICARKCFEBVGAD-UHFFFAOYSA-N
XLogP4.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 162078878
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 71558419
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
CID 174078245
CID 174078245

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride (CID 25230838) is 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride is Cl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride?
The InChIKey is SICARKCFEBVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3.ClH/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;/h1-7,22H,8-12,21H2;1H.
What are the key properties of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride?
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride has a molecular weight of 419.74 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride is sourced from PubChem (CID 25230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).