4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol

C13H20FNO — CID 107685805

IUPAC4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
SMILESCC(C)C(C)CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)7-15-8-11-4-5-13(16)12(14)6-11/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyNDTRHRJCUSYTBP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.91
Rot. Bonds5

About 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol

4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol (PubChem CID 107685805) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
PubChem CID107685805
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
SMILESCC(C)C(C)CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)7-15-8-11-4-5-13(16)12(14)6-11/h4-6,9-10,15-16H,7-8H2,1-3H3
InChIKeyNDTRHRJCUSYTBP-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
CID 107685861
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol (CID 107685805) is 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol is CC(C)C(C)CNCc1ccc(O)c(F)c1.
What is the InChIKey of 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol?
The InChIKey is NDTRHRJCUSYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)10(3)7-15-8-11-4-5-13(16)12(14)6-11/h4-6,9-10,15-16H,7-8H2,1-3H3.
What are the key properties of 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol?
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol has a molecular weight of 225.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).