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

C13H19BrFNO — CID 79047998

IUPAC1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCN(C)C(C)(C)C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-13(2,16(3)4)12(17)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,8H2,1-4H3
InChIKeyIUVDOIXTCMVEGI-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.83
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol (PubChem CID 79047998) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
PubChem CID79047998
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
SMILESCN(C)C(C)(C)C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-13(2,16(3)4)12(17)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,8H2,1-4H3
InChIKeyIUVDOIXTCMVEGI-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
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1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
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2-bromo-1-(5-bromo-2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 62394652
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
4-(5-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 60996788
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
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3-(5-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495370
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601604
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CID 62816209

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol (CID 79047998) is 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol is CN(C)C(C)(C)C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol?
The InChIKey is IUVDOIXTCMVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-13(2,16(3)4)12(17)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol has a molecular weight of 304.20 g/mol, XLogP of 2.83, 4 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-methylbutan-2-ol is sourced from PubChem (CID 79047998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).