3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

C14H17BrFNO — CID 114199692

IUPAC3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(Br)cc1COC1CC2CCC(C1)N2
InChIInChI=1S/C14H17BrFNO/c15-10-1-4-14(16)9(5-10)8-18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17H,2-3,6-8H2
InChIKeyKTEDBQJVVYYAOQ-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.39
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 114199692) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID114199692
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(Br)cc1COC1CC2CCC(C1)N2
InChIInChI=1S/C14H17BrFNO/c15-10-1-4-14(16)9(5-10)8-18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17H,2-3,6-8H2
InChIKeyKTEDBQJVVYYAOQ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
CID 89164220
(1S,5R)-3-[[2-(difluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676268
4-bromo-2-[[(1S,2S)-2-(bromomethyl)cyclopropyl]methoxymethyl]-1-fluorobenzene
CID 59958673
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
CID 79466114
(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674533
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199669
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (CID 114199692) is 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is Fc1ccc(Br)cc1COC1CC2CCC(C1)N2.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is KTEDBQJVVYYAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-10-1-4-14(16)9(5-10)8-18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17H,2-3,6-8H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 314.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114199692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).