2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid

C12H16ClNO2 — CID 133150346

IUPAC2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(c1cc(Cl)ccc1C)C(C)C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-4-14(9(3)12(15)16)11-7-10(13)6-5-8(11)2/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyWCNXWZPJMSMCKO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.95
Rot. Bonds4

About 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid

2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid (PubChem CID 133150346) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
PubChem CID133150346
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(c1cc(Cl)ccc1C)C(C)C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-4-14(9(3)12(15)16)11-7-10(13)6-5-8(11)2/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyWCNXWZPJMSMCKO-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dichloro-N-ethylanilino)propanoic acid
CID 125045037
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
CID 125045140
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
3-[5-chloro-2-methyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319242
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
2-(bromomethyl)-5-chloro-N-ethyl-N-propan-2-ylaniline
CID 107079890
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
CID 41466614
1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
CID 88560810
(2S)-2-(3,4-dimethyl-N-propylanilino)propanoic acid
CID 100517847
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid?
The IUPAC name of 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid (CID 133150346) is 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid.
What is the SMILES notation for 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid?
The canonical SMILES for 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid is CCN(c1cc(Cl)ccc1C)C(C)C(=O)O.
What is the InChIKey of 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid?
The InChIKey is WCNXWZPJMSMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-14(9(3)12(15)16)11-7-10(13)6-5-8(11)2/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid?
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid has a molecular weight of 241.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid is sourced from PubChem (CID 133150346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).