3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid

C12H15Cl2NO2 — CID 11822623

IUPAC3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO2/c1-12(11(16)17,15(2)3)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQVWWWVGCNIKPSE-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.94
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid

3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid (PubChem CID 11822623) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
PubChem CID11822623
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO2/c1-12(11(16)17,15(2)3)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQVWWWVGCNIKPSE-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 10445397
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanenitrile
CID 84751936
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
diethyl 2-[(3,4-dichlorophenyl)methyl]-2-methylpropanedioate
CID 103972592
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid (CID 11822623) is 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid is CN(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid?
The InChIKey is QVWWWVGCNIKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-12(11(16)17,15(2)3)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid?
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid has a molecular weight of 276.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 11822623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).