2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol

C11H15F2NO2 — CID 103854738

IUPAC2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
SMILESC[C@H](CCO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO2/c1-7(2-3-15)14-6-8-4-9(12)11(16)10(13)5-8/h4-5,7,14-16H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyADVUBRGIIBMCGE-SSDOTTSWSA-N
MW231.24 g/mol
LogP1.53
Rot. Bonds5

About 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol

2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol (PubChem CID 103854738) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
PubChem CID103854738
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
SMILESC[C@H](CCO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO2/c1-7(2-3-15)14-6-8-4-9(12)11(16)10(13)5-8/h4-5,7,14-16H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyADVUBRGIIBMCGE-SSDOTTSWSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol 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

2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 79891666
3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
2,6-difluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 79831410
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
2,6-difluoro-4-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 113461577
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol (CID 103854738) is 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol is C[C@H](CCO)NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol?
The InChIKey is ADVUBRGIIBMCGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7(2-3-15)14-6-8-4-9(12)11(16)10(13)5-8/h4-5,7,14-16H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol?
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol has a molecular weight of 231.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 103854738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).