2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol

C11H15F2NO2 — CID 103924370

IUPAC2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](CO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO2/c1-2-8(6-15)14-5-7-3-9(12)11(16)10(13)4-7/h3-4,8,14-16H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyTUXNEMLZQIAJNA-MRVPVSSYSA-N
MW231.24 g/mol
LogP1.53
Rot. Bonds5

About 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol

2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol (PubChem CID 103924370) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
PubChem CID103924370
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](CO)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H15F2NO2/c1-2-8(6-15)14-5-7-3-9(12)11(16)10(13)4-7/h3-4,8,14-16H,2,5-6H2,1H3/t8-/m1/s1
InChIKeyTUXNEMLZQIAJNA-MRVPVSSYSA-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

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
methyl 2-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzoate
CID 106699705
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 79891666
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
2,6-difluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 79831410

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol (CID 103924370) is 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol is CC[C@H](CO)NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The InChIKey is TUXNEMLZQIAJNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-8(6-15)14-5-7-3-9(12)11(16)10(13)4-7/h3-4,8,14-16H,2,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
2,6-difluoro-4-[[[(2R)-1-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)-1-hydroxybutan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 103924370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).