2-(2-butyl-4-methylanilino)acetic acid

C13H19NO2 — CID 54469152

IUPAC2-(2-butyl-4-methylanilino)acetic acid
SMILESCCCCc1cc(C)ccc1NCC(=O)O
InChIInChI=1S/C13H19NO2/c1-3-4-5-11-8-10(2)6-7-12(11)14-9-13(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyXHBMUZNOTLXXOG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-butyl-4-methylanilino)acetic acid

2-(2-butyl-4-methylanilino)acetic acid (PubChem CID 54469152) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-butyl-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-butyl-4-methylanilino)acetic acid
PubChem CID54469152
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-butyl-4-methylanilino)acetic acid
SMILESCCCCc1cc(C)ccc1NCC(=O)O
InChIInChI=1S/C13H19NO2/c1-3-4-5-11-8-10(2)6-7-12(11)14-9-13(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyXHBMUZNOTLXXOG-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-dodecylanilino)acetic acid
CID 22628781
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
3-[5-methyl-2-(methylamino)phenyl]propanoic acid
CID 20546910
4-methyl-2-tetradecylbenzoic acid
CID 174671102
2-hexyl-4-methylbenzoic acid
CID 67543918
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
N-[(2-butyl-4-methylphenyl)methyl]ethanamine
CID 106659184
2-(butylamino)-5-methylbenzoic acid
CID 18802498
1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
N,2-diethyl-4-methylaniline
CID 23348946
(2-butyl-4-methylphenyl) benzoate
CID 70578345

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-methylanilino)acetic acid?
The IUPAC name of 2-(2-butyl-4-methylanilino)acetic acid (CID 54469152) is 2-(2-butyl-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-butyl-4-methylanilino)acetic acid?
The canonical SMILES for 2-(2-butyl-4-methylanilino)acetic acid is CCCCc1cc(C)ccc1NCC(=O)O.
What is the InChIKey of 2-(2-butyl-4-methylanilino)acetic acid?
The InChIKey is XHBMUZNOTLXXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-11-8-10(2)6-7-12(11)14-9-13(15)16/h6-8,14H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-butyl-4-methylanilino)acetic acid?
2-(2-butyl-4-methylanilino)acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-methylanilino)acetic acid is sourced from PubChem (CID 54469152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).