2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid

C14H21ClN2O2 — CID 54890478

IUPAC2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-13(14(18)19)11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyBJTXWPSFZFECPC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.40
Rot. Bonds8

About 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid

2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (PubChem CID 54890478) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
PubChem CID54890478
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-13(14(18)19)11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyBJTXWPSFZFECPC-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid (CID 54890478) is 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is CCN(CC)CCNC(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
The InChIKey is BJTXWPSFZFECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-13(14(18)19)11-7-5-6-8-12(11)15/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid?
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid has a molecular weight of 284.79 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid is sourced from PubChem (CID 54890478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).