2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide

C13H19FN2O2 — CID 106344408

IUPAC2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-7(2)12(13(15)18)16-8(3)10-6-9(14)4-5-11(10)17/h4-8,12,16-17H,1-3H3,(H2,15,18)
InChIKeyZCSIXYAVYLDCOZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.69
Rot. Bonds5

About 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide

2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide (PubChem CID 106344408) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
PubChem CID106344408
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-7(2)12(13(15)18)16-8(3)10-6-9(14)4-5-11(10)17/h4-8,12,16-17H,1-3H3,(H2,15,18)
InChIKeyZCSIXYAVYLDCOZ-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
CID 106344464
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
CID 106344280
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
methyl (2S)-2-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43776132
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide (CID 106344408) is 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide is CC(NC(C(N)=O)C(C)C)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide?
The InChIKey is ZCSIXYAVYLDCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-7(2)12(13(15)18)16-8(3)10-6-9(14)4-5-11(10)17/h4-8,12,16-17H,1-3H3,(H2,15,18).
What are the key properties of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide?
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide has a molecular weight of 254.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide is sourced from PubChem (CID 106344408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).