1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine

C15H15BrFNO — CID 81325789

IUPAC1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)6-11-4-2-3-5-15(11)19-14-8-12(16)7-13(17)9-14/h2-5,7-10H,6,18H2,1H3
InChIKeyLSFGBSAPPYPVCU-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine

1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine (PubChem CID 81325789) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
PubChem CID81325789
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)6-11-4-2-3-5-15(11)19-14-8-12(16)7-13(17)9-14/h2-5,7-10H,6,18H2,1H3
InChIKeyLSFGBSAPPYPVCU-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine (CID 81325789) is 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine?
The InChIKey is LSFGBSAPPYPVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)6-11-4-2-3-5-15(11)19-14-8-12(16)7-13(17)9-14/h2-5,7-10H,6,18H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine?
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine has a molecular weight of 324.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 81325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).