(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

C15H19BrFNO — CID 106645178

IUPAC(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(C(O)c1cccc(Br)c1F)C2
InChIInChI=1S/C15H19BrFNO/c1-18-10-5-6-11(18)8-9(7-10)15(19)12-3-2-4-13(16)14(12)17/h2-4,9-11,15,19H,5-8H2,1H3
InChIKeyGKKTXSKUNAYIDQ-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.49
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (PubChem CID 106645178) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
PubChem CID106645178
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(C(O)c1cccc(Br)c1F)C2
InChIInChI=1S/C15H19BrFNO/c1-18-10-5-6-11(18)8-9(7-10)15(19)12-3-2-4-13(16)14(12)17/h2-4,9-11,15,19H,5-8H2,1H3
InChIKeyGKKTXSKUNAYIDQ-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 150617333
2-(1-adamantyl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 106648407

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (CID 106645178) is (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is CN1C2CCC1CC(C(O)c1cccc(Br)c1F)C2.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The InChIKey is GKKTXSKUNAYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-18-10-5-6-11(18)8-9(7-10)15(19)12-3-2-4-13(16)14(12)17/h2-4,9-11,15,19H,5-8H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol has a molecular weight of 328.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is sourced from PubChem (CID 106645178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).