1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

C15H17BrFNO2 — CID 83233186

IUPAC1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)c(Br)c1)c1ccc(C)o1
InChIInChI=1S/C15H17BrFNO2/c1-3-13(18)15(14-7-4-9(2)19-14)20-10-5-6-12(17)11(16)8-10/h4-8,13,15H,3,18H2,1-2H3
InChIKeyKTTSKGRUHIRSED-UHFFFAOYSA-N
MW342.21 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (PubChem CID 83233186) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
PubChem CID83233186
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC Name1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)c(Br)c1)c1ccc(C)o1
InChIInChI=1S/C15H17BrFNO2/c1-3-13(18)15(14-7-4-9(2)19-14)20-10-5-6-12(17)11(16)8-10/h4-8,13,15H,3,18H2,1-2H3
InChIKeyKTTSKGRUHIRSED-UHFFFAOYSA-N
XLogP4.35
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63269237
1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63460664
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
(1S,2S)-1-(3-bromo-4-fluorophenyl)butane-1,2-diamine
CID 130863016
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107722833
1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
CID 102980652
1-(5-methylfuran-2-yl)-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82789393
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropentan-3-amine
CID 83133335

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (CID 83233186) is 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is CCC(N)C(Oc1ccc(F)c(Br)c1)c1ccc(C)o1.
What is the InChIKey of 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The InChIKey is KTTSKGRUHIRSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-3-13(18)15(14-7-4-9(2)19-14)20-10-5-6-12(17)11(16)8-10/h4-8,13,15H,3,18H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine has a molecular weight of 342.21 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is sourced from PubChem (CID 83233186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).