5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol

C11H16FNO — CID 83699285

IUPAC5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
SMILESCC(C)C(CN)c1ccc(F)c(O)c1
InChIInChI=1S/C11H16FNO/c1-7(2)9(6-13)8-3-4-10(12)11(14)5-8/h3-5,7,9,14H,6,13H2,1-2H3
InChIKeyWIOUVMFQGMHZSN-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.23
Rot. Bonds3

About 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol

5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol (PubChem CID 83699285) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
PubChem CID83699285
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
SMILESCC(C)C(CN)c1ccc(F)c(O)c1
InChIInChI=1S/C11H16FNO/c1-7(2)9(6-13)8-3-4-10(12)11(14)5-8/h3-5,7,9,14H,6,13H2,1-2H3
InChIKeyWIOUVMFQGMHZSN-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
CID 59470562
5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
CID 84809703
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
CID 13147086
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol?
The IUPAC name of 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol (CID 83699285) is 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol.
What is the SMILES notation for 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol?
The canonical SMILES for 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol is CC(C)C(CN)c1ccc(F)c(O)c1.
What is the InChIKey of 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol?
The InChIKey is WIOUVMFQGMHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)9(6-13)8-3-4-10(12)11(14)5-8/h3-5,7,9,14H,6,13H2,1-2H3.
What are the key properties of 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol?
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol has a molecular weight of 197.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol is sourced from PubChem (CID 83699285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).