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

C15H23BrFNO — CID 79702695

IUPAC1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H23BrFNO/c1-5-18(6-2)15(3,4)14(19)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,19H,5-6,9H2,1-4H3
InChIKeyPUYKBEZUIZGNNV-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.61
Rot. Bonds6

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

1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol (PubChem CID 79702695) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
PubChem CID79702695
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H23BrFNO/c1-5-18(6-2)15(3,4)14(19)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,19H,5-6,9H2,1-4H3
InChIKeyPUYKBEZUIZGNNV-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
3-(diethylamino)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 79052755
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
CID 79052754
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063193

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol (CID 79702695) is 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol is CCN(CC)C(C)(C)C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol?
The InChIKey is PUYKBEZUIZGNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-18(6-2)15(3,4)14(19)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,19H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol?
1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol has a molecular weight of 332.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 79702695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).