methyl 2-(4-chloro-2-methylanilino)propanoate

C11H14ClNO2 — CID 60666871

IUPACmethyl 2-(4-chloro-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2/c1-7-6-9(12)4-5-10(7)13-8(2)11(14)15-3/h4-6,8,13H,1-3H3
InChIKeyJTQJKVAALCYUMI-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-(4-chloro-2-methylanilino)propanoate

methyl 2-(4-chloro-2-methylanilino)propanoate (PubChem CID 60666871) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-methylanilino)propanoate
PubChem CID60666871
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-(4-chloro-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2/c1-7-6-9(12)4-5-10(7)13-8(2)11(14)15-3/h4-6,8,13H,1-3H3
InChIKeyJTQJKVAALCYUMI-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
methyl 2-(5-amino-2-methylanilino)propanoate
CID 62590331
3-(4-chloro-2-methylanilino)butanethioamide
CID 82085018
methyl 2-(5-acetamido-2-methylanilino)propanoate
CID 66174130
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-methylanilino)propanoate?
The IUPAC name of methyl 2-(4-chloro-2-methylanilino)propanoate (CID 60666871) is methyl 2-(4-chloro-2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(4-chloro-2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(4-chloro-2-methylanilino)propanoate is COC(=O)C(C)Nc1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-(4-chloro-2-methylanilino)propanoate?
The InChIKey is JTQJKVAALCYUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-6-9(12)4-5-10(7)13-8(2)11(14)15-3/h4-6,8,13H,1-3H3.
What are the key properties of methyl 2-(4-chloro-2-methylanilino)propanoate?
methyl 2-(4-chloro-2-methylanilino)propanoate has a molecular weight of 227.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-methylanilino)propanoate is sourced from PubChem (CID 60666871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).