2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol

C17H27F2NO — CID 107512942

IUPAC2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H27F2NO/c1-6-17(7-2,20(8-3)9-4)16(21)13-11-10-12(5)14(18)15(13)19/h10-11,16,21H,6-9H2,1-5H3
InChIKeyNYTKKAAXZGQYJP-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.21
Rot. Bonds7

About 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol

2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol (PubChem CID 107512942) has the molecular formula C17H27F2NO and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
PubChem CID107512942
Molecular FormulaC17H27F2NO
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H27F2NO/c1-6-17(7-2,20(8-3)9-4)16(21)13-11-10-12(5)14(18)15(13)19/h10-11,16,21H,6-9H2,1-5H3
InChIKeyNYTKKAAXZGQYJP-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol
CID 79062312
2-(diethylamino)-2-ethyl-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831417
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
CID 79061093
1-(2,3-difluoro-4-methylphenyl)-3-ethylpentane-1,2-diol
CID 107513057
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
CID 103433176
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869
1-(1-chlorobutyl)-2,3-difluoro-4-methylbenzene
CID 130480611
2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
CID 115374174

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol (CID 107512942) is 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol is CCN(CC)C(CC)(CC)C(O)c1ccc(C)c(F)c1F.
What is the InChIKey of 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol?
The InChIKey is NYTKKAAXZGQYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-6-17(7-2,20(8-3)9-4)16(21)13-11-10-12(5)14(18)15(13)19/h10-11,16,21H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol?
2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 107512942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).