2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid

C15H23NO3 — CID 84748642

IUPAC2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cc(C)ccc1O
InChIInChI=1S/C15H23NO3/c1-4-6-9-16(5-2)14(15(18)19)12-10-11(3)7-8-13(12)17/h7-8,10,14,17H,4-6,9H2,1-3H3,(H,18,19)
InChIKeySCLNXTSFLLBWPJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.95
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid

2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid (PubChem CID 84748642) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
PubChem CID84748642
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cc(C)ccc1O
InChIInChI=1S/C15H23NO3/c1-4-6-9-16(5-2)14(15(18)19)12-10-11(3)7-8-13(12)17/h7-8,10,14,17H,4-6,9H2,1-3H3,(H,18,19)
InChIKeySCLNXTSFLLBWPJ-UHFFFAOYSA-N
XLogP2.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-[butyl(ethyl)amino]-2-(2-nitrophenyl)acetic acid
CID 84749136
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
CID 97190981
2-[ethyl(2-hydroxyethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84757445
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid (CID 84748642) is 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid is CCCCN(CC)C(C(=O)O)c1cc(C)ccc1O.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid?
The InChIKey is SCLNXTSFLLBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-9-16(5-2)14(15(18)19)12-10-11(3)7-8-13(12)17/h7-8,10,14,17H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid?
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 84748642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).