4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C14H17BrFNO — CID 105365802

IUPAC4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCN2CCC1C2
InChIInChI=1S/C14H17BrFNO/c15-13-2-1-12(16)7-10(13)8-14(18)4-6-17-5-3-11(14)9-17/h1-2,7,11,18H,3-6,8-9H2
InChIKeyKMWUBCVVBWIVOZ-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.59
Rot. Bonds2

About 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365802) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365802
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCN2CCC1C2
InChIInChI=1S/C14H17BrFNO/c15-13-2-1-12(16)7-10(13)8-14(18)4-6-17-5-3-11(14)9-17/h1-2,7,11,18H,3-6,8-9H2
InChIKeyKMWUBCVVBWIVOZ-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105373052
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
4-[(3-chloro-2-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 102857072
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
1-[(2-bromo-5-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314859
4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365930
N-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43199346
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365802) is 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is OC1(Cc2cc(F)ccc2Br)CCN2CCC1C2.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is KMWUBCVVBWIVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-13-2-1-12(16)7-10(13)8-14(18)4-6-17-5-3-11(14)9-17/h1-2,7,11,18H,3-6,8-9H2.
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 314.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).