1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol

C15H23BrFNO — CID 106645113

IUPAC1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H23BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10,14,19H,5-7H2,1-4H3
InChIKeyAQYPTKBBGCQWOK-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol

1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol (PubChem CID 106645113) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
PubChem CID106645113
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H23BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10,14,19H,5-7H2,1-4H3
InChIKeyAQYPTKBBGCQWOK-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
CID 106645055
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-ol
CID 81209930
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 106644859
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol
CID 106645068

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol (CID 106645113) is 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol?
The InChIKey is AQYPTKBBGCQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10,14,19H,5-7H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol?
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol has a molecular weight of 332.26 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 106645113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).