2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid

C14H20Cl2N2O2 — CID 60994785

IUPAC2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)8-7-17-13(14(19)20)10-5-6-11(15)12(16)9-10/h5-6,9,13,17H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyRWRJFPVFFOPHLX-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.05
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid

2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (PubChem CID 60994785) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
PubChem CID60994785
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)8-7-17-13(14(19)20)10-5-6-11(15)12(16)9-10/h5-6,9,13,17H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyRWRJFPVFFOPHLX-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
3-[[carboxy-(3,4-dichlorophenyl)methyl]amino]propanoic acid
CID 84746998
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
2-[3-(diethylamino)propylamino]-2-(3-methylphenyl)acetic acid
CID 84750225
2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572149
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 2427757
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (CID 60994785) is 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is CCN(CC)CCNC(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The InChIKey is RWRJFPVFFOPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)8-7-17-13(14(19)20)10-5-6-11(15)12(16)9-10/h5-6,9,13,17H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid has a molecular weight of 319.23 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is sourced from PubChem (CID 60994785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).