2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol

C14H21F2NO — CID 79053451

IUPAC2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-5-17(6-2)14(3,4)13(18)12-10(15)8-7-9-11(12)16/h7-9,13,18H,5-6H2,1-4H3
InChIKeyQJGDOQNFYOZTPL-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.12
Rot. Bonds5

About 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol (PubChem CID 79053451) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
PubChem CID79053451
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-5-17(6-2)14(3,4)13(18)12-10(15)8-7-9-11(12)16/h7-9,13,18H,5-6H2,1-4H3
InChIKeyQJGDOQNFYOZTPL-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79053452
2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol
CID 79052853
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol (CID 79053451) is 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol is CCN(CC)C(C)(C)C(O)c1c(F)cccc1F.
What is the InChIKey of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol?
The InChIKey is QJGDOQNFYOZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-17(6-2)14(3,4)13(18)12-10(15)8-7-9-11(12)16/h7-9,13,18H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol?
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 79053451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).