1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine

C14H14BrF2NO2 — CID 107097759

IUPAC1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(Br)cc(F)c1F)c1ccco1
InChIInChI=1S/C14H14BrF2NO2/c1-2-10(18)14(11-4-3-5-19-11)20-12-7-8(15)6-9(16)13(12)17/h3-7,10,14H,2,18H2,1H3
InChIKeyRCCLJRXKYLZELJ-UHFFFAOYSA-N
MW346.17 g/mol
LogP4.18
Rot. Bonds5

About 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine

1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine (PubChem CID 107097759) has the molecular formula C14H14BrF2NO2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
PubChem CID107097759
Molecular FormulaC14H14BrF2NO2
Molecular Weight346.17 g/mol
Exact Mass345.02
IUPAC Name1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(Br)cc(F)c1F)c1ccco1
InChIInChI=1S/C14H14BrF2NO2/c1-2-10(18)14(11-4-3-5-19-11)20-12-7-8(15)6-9(16)13(12)17/h3-7,10,14H,2,18H2,1H3
InChIKeyRCCLJRXKYLZELJ-UHFFFAOYSA-N
XLogP4.18
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
1-(3-chloro-2-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 116688786
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 62549234
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
CID 115492270
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
3-(5-bromo-2,3-difluorophenoxy)-4,4,4-trifluorobutan-2-amine
CID 107097736
2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 107097595

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine (CID 107097759) is 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine is CCC(N)C(Oc1cc(Br)cc(F)c1F)c1ccco1.
What is the InChIKey of 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine?
The InChIKey is RCCLJRXKYLZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO2/c1-2-10(18)14(11-4-3-5-19-11)20-12-7-8(15)6-9(16)13(12)17/h3-7,10,14H,2,18H2,1H3.
What are the key properties of 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine?
1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine has a molecular weight of 346.17 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 107097759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).