1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol

C14H21F2NO — CID 111113593

IUPAC1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
SMILESCCC(C)CN(C)CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-4-10(2)8-17(3)9-13(18)14-11(15)6-5-7-12(14)16/h5-7,10,13,18H,4,8-9H2,1-3H3
InChIKeyDWEJDNVRKWHKJR-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.98
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol (PubChem CID 111113593) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
PubChem CID111113593
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
SMILESCCC(C)CN(C)CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-4-10(2)8-17(3)9-13(18)14-11(15)6-5-7-12(14)16/h5-7,10,13,18H,4,8-9H2,1-3H3
InChIKeyDWEJDNVRKWHKJR-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
CID 111614486
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
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 110898303
1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol
CID 53350267
2-fluoro-6-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 79513049
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
2-butan-2-yl-1,3-difluorobenzene
CID 56605716

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol (CID 111113593) is 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol is CCC(C)CN(C)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The InChIKey is DWEJDNVRKWHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-10(2)8-17(3)9-13(18)14-11(15)6-5-7-12(14)16/h5-7,10,13,18H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol has a molecular weight of 257.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol is sourced from PubChem (CID 111113593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).