2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol

C15H22F3NO — CID 79063813

IUPAC2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3NO/c1-5-15(4,19(6-2)7-3)14(20)10-8-9-11(16)13(18)12(10)17/h8-9,14,20H,5-7H2,1-4H3
InChIKeyXZSQGUJFRHEMEL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.65
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol

2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol (PubChem CID 79063813) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
PubChem CID79063813
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3NO/c1-5-15(4,19(6-2)7-3)14(20)10-8-9-11(16)13(18)12(10)17/h8-9,14,20H,5-7H2,1-4H3
InChIKeyXZSQGUJFRHEMEL-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
CID 107512942
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
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
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
CID 114726865
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol (CID 79063813) is 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol is CCN(CC)C(C)(CC)C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
The InChIKey is XZSQGUJFRHEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-15(4,19(6-2)7-3)14(20)10-8-9-11(16)13(18)12(10)17/h8-9,14,20H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol?
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol is sourced from PubChem (CID 79063813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).