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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).