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

C15H23F2NO — CID 79064375

IUPAC2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO/c1-5-15(4,18(6-2)7-3)14(19)13-11(16)9-8-10-12(13)17/h8-10,14,19H,5-7H2,1-4H3
InChIKeyJSSIGFZJWBSMKS-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.51
Rot. Bonds6

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

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol (PubChem CID 79064375) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
PubChem CID79064375
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO/c1-5-15(4,18(6-2)7-3)14(19)13-11(16)9-8-10-12(13)17/h8-10,14,19H,5-7H2,1-4H3
InChIKeyJSSIGFZJWBSMKS-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
CID 79053451
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79063864
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-ol
CID 81209930
2-(diethylamino)-2-methyl-1-pyridin-3-ylbutan-1-ol
CID 79064377

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol (CID 79064375) is 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1c(F)cccc1F.
What is the InChIKey of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol?
The InChIKey is JSSIGFZJWBSMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-15(4,18(6-2)7-3)14(19)13-11(16)9-8-10-12(13)17/h8-10,14,19H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol?
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol has a molecular weight of 271.35 g/mol, XLogP of 3.51, 6 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-methylbutan-1-ol is sourced from PubChem (CID 79064375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).