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

C14H20Cl2N2O2 — CID 60993939

IUPAC2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)9-8-17-13(14(19)20)10-6-5-7-11(15)12(10)16/h5-7,13,17H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyUMBWCKCKIIEVMY-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.05
Rot. Bonds8

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

2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (PubChem CID 60993939) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
PubChem CID60993939
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)9-8-17-13(14(19)20)10-6-5-7-11(15)12(10)16/h5-7,13,17H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyUMBWCKCKIIEVMY-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

2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (CID 60993939) is 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is CCN(CC)CCNC(C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The InChIKey is UMBWCKCKIIEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-3-18(4-2)9-8-17-13(14(19)20)10-6-5-7-11(15)12(10)16/h5-7,13,17H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
2-(2,3-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-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is sourced from PubChem (CID 60993939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).