3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol

C13H20FNO2 — CID 104879239

IUPAC3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
SMILESCC(C)C(CCO)NCc1cc(O)cc(F)c1
InChIInChI=1S/C13H20FNO2/c1-9(2)13(3-4-16)15-8-10-5-11(14)7-12(17)6-10/h5-7,9,13,15-17H,3-4,8H2,1-2H3
InChIKeyFVHUTYXDKQHLAI-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.03
Rot. Bonds6

About 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol

3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol (PubChem CID 104879239) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
PubChem CID104879239
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
SMILESCC(C)C(CCO)NCc1cc(O)cc(F)c1
InChIInChI=1S/C13H20FNO2/c1-9(2)13(3-4-16)15-8-10-5-11(14)7-12(17)6-10/h5-7,9,13,15-17H,3-4,8H2,1-2H3
InChIKeyFVHUTYXDKQHLAI-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
3-fluoro-N'-hydroxy-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzenecarboximidamide
CID 106350262
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzene-1,2-diol
CID 113357899
2-N-[(3,5-difluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113338404
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686338
5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 106348788
3-[(3,5-difluorophenyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 109482085
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol (CID 104879239) is 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol is CC(C)C(CCO)NCc1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol?
The InChIKey is FVHUTYXDKQHLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)13(3-4-16)15-8-10-5-11(14)7-12(17)6-10/h5-7,9,13,15-17H,3-4,8H2,1-2H3.
What are the key properties of 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol?
3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol has a molecular weight of 241.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 104879239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).