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

C14H15BrFNO2 — CID 83232350

IUPAC1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)c(Br)c1)c1ccco1
InChIInChI=1S/C14H15BrFNO2/c1-2-12(17)14(13-4-3-7-18-13)19-9-5-6-11(16)10(15)8-9/h3-8,12,14H,2,17H2,1H3
InChIKeyQWMHOTHBXQANAZ-UHFFFAOYSA-N
MW328.18 g/mol
LogP4.04
Rot. Bonds5

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

1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine (PubChem CID 83232350) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
PubChem CID83232350
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC Name1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)c(Br)c1)c1ccco1
InChIInChI=1S/C14H15BrFNO2/c1-2-12(17)14(13-4-3-7-18-13)19-9-5-6-11(16)10(15)8-9/h3-8,12,14H,2,17H2,1H3
InChIKeyQWMHOTHBXQANAZ-UHFFFAOYSA-N
XLogP4.04
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186
1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 107097759
1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 62549234
1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
CID 115492270
1-(3-chloro-2-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 116688786
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
(1S,2S)-1-(3-bromo-4-fluorophenyl)butane-1,2-diamine
CID 130863016
1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
CID 65124380
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine (CID 83232350) is 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine is CCC(N)C(Oc1ccc(F)c(Br)c1)c1ccco1.
What is the InChIKey of 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The InChIKey is QWMHOTHBXQANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-2-12(17)14(13-4-3-7-18-13)19-9-5-6-11(16)10(15)8-9/h3-8,12,14H,2,17H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine?
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine has a molecular weight of 328.18 g/mol, XLogP of 4.04, 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-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 83232350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).