2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol

C16H26FNO — CID 79063565

IUPAC2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8H2,1-5H3
InChIKeyWLTVBZJETYFJEM-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.68
Rot. Bonds6

About 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol

2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol (PubChem CID 79063565) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
PubChem CID79063565
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8H2,1-5H3
InChIKeyWLTVBZJETYFJEM-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-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

Related Compounds

N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-2-methylbutanenitrile
CID 79133121
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol (CID 79063565) is 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol?
The InChIKey is WLTVBZJETYFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11,15,19H,6-8H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol?
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79063565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).