[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C14H17BrFNO — CID 65393231

IUPAC[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cc2F)CC2CCC1O2
InChIInChI=1S/C14H17BrFNO/c15-10-2-1-9(12(16)5-10)6-14(8-17)7-11-3-4-13(14)18-11/h1-2,5,11,13H,3-4,6-8,17H2
InChIKeyZHBKYQWOVHILDG-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.03
Rot. Bonds3

About [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65393231) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65393231
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cc2F)CC2CCC1O2
InChIInChI=1S/C14H17BrFNO/c15-10-2-1-9(12(16)5-10)6-14(8-17)7-11-3-4-13(14)18-11/h1-2,5,11,13H,3-4,6-8,17H2
InChIKeyZHBKYQWOVHILDG-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine with MolForge

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Related Compounds

1-(4-Bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 55095247
[4-[(5-Bromo-2-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 55130249
[4-[(2-Bromo-5-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 55130251
N-[[3-[(4-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62717889
N-[[3-[(4-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62718025
N-[[3-[(4-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718662
1-[3-[(4-bromo-2-fluorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62720087
N-[[3-[(4-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62720102
[3-[(2-Bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 62723320
[3-[(3-Bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 62723515
[3-[(2-Bromo-5-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 62723516
[3-[(4-Bromo-2-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 62725115

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65393231) is [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1(Cc2ccc(Br)cc2F)CC2CCC1O2.
What is the InChIKey of [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is ZHBKYQWOVHILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-10-2-1-9(12(16)5-10)6-14(8-17)7-11-3-4-13(14)18-11/h1-2,5,11,13H,3-4,6-8,17H2.
What are the key properties of [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 314.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65393231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).