2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid

C17H19NO3 — CID 65059194

IUPAC2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
SMILESCc1cc(CN(CC(=O)O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-12-8-14(9-13(2)17(12)21)10-18(11-16(19)20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3,(H,19,20)
InChIKeyHMXROYDFNODEFT-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.10
Rot. Bonds5

About 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid

2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid (PubChem CID 65059194) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
PubChem CID65059194
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
SMILESCc1cc(CN(CC(=O)O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-12-8-14(9-13(2)17(12)21)10-18(11-16(19)20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3,(H,19,20)
InChIKeyHMXROYDFNODEFT-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
CID 65056826
2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
CID 65056920
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-[3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]anilino]acetic acid
CID 65058188
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
CID 65059622
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
2-[N-[[3-(difluoromethyl)phenyl]methyl]anilino]acetic acid
CID 115529550

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid (CID 65059194) is 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid is Cc1cc(CN(CC(=O)O)c2ccccc2)cc(C)c1O.
What is the InChIKey of 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid?
The InChIKey is HMXROYDFNODEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-14(9-13(2)17(12)21)10-18(11-16(19)20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid?
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 65059194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).