2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid

C17H19NO3 — CID 84751400

IUPAC2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
SMILESCCN(c1cccc(C)c1)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C17H19NO3/c1-3-18(14-8-4-6-12(2)10-14)16(17(20)21)13-7-5-9-15(19)11-13/h4-11,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyZATYOTDKQYGZCP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.35
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid

2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid (PubChem CID 84751400) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
PubChem CID84751400
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
SMILESCCN(c1cccc(C)c1)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C17H19NO3/c1-3-18(14-8-4-6-12(2)10-14)16(17(20)21)13-7-5-9-15(19)11-13/h4-11,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyZATYOTDKQYGZCP-UHFFFAOYSA-N
XLogP3.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748785
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
(N-ethyl-3-methylanilino)-phenylmethanesulfonic acid
CID 54298056
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
3-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82982597
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid (CID 84751400) is 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid is CCN(c1cccc(C)c1)C(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid?
The InChIKey is ZATYOTDKQYGZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-18(14-8-4-6-12(2)10-14)16(17(20)21)13-7-5-9-15(19)11-13/h4-11,16,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid?
2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 84751400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).