2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid

C12H17ClN2O2 — CID 54895368

IUPAC2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCNC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-11(12(16)17)9-4-3-5-10(13)8-9/h3-5,8,11,14H,6-7H2,1-2H3,(H,16,17)
InChIKeyRJDOPPNNFKMDNZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.62
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid

2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid (PubChem CID 54895368) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
PubChem CID54895368
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
SMILESCN(C)CCNC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-11(12(16)17)9-4-3-5-10(13)8-9/h3-5,8,11,14H,6-7H2,1-2H3,(H,16,17)
InChIKeyRJDOPPNNFKMDNZ-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 2562154
1-(3-chlorophenyl)-1-[3-(methylamino)propylamino]propan-2-one
CID 142270738
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid (CID 54895368) is 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid is CN(C)CCNC(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
The InChIKey is RJDOPPNNFKMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-11(12(16)17)9-4-3-5-10(13)8-9/h3-5,8,11,14H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid?
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid has a molecular weight of 256.73 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid is sourced from PubChem (CID 54895368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).