1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol

C14H21BrFNO — CID 79062858

IUPAC1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(Br)ccc1F)N(C)C
InChIInChI=1S/C14H21BrFNO/c1-5-14(2,17(3)4)13(18)9-10-8-11(15)6-7-12(10)16/h6-8,13,18H,5,9H2,1-4H3
InChIKeyUJHOIWINMOXPCG-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.22
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol

1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 79062858) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID79062858
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(Br)ccc1F)N(C)C
InChIInChI=1S/C14H21BrFNO/c1-5-14(2,17(3)4)13(18)9-10-8-11(15)6-7-12(10)16/h6-8,13,18H,5,9H2,1-4H3
InChIKeyUJHOIWINMOXPCG-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-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

1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047998
1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063697
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
CID 79062969
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-bromo-1-(5-bromo-2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 62394652
3-(5-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495370
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 79062858) is 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1cc(Br)ccc1F)N(C)C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is UJHOIWINMOXPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-5-14(2,17(3)4)13(18)9-10-8-11(15)6-7-12(10)16/h6-8,13,18H,5,9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 318.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79062858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).