2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine

C15H17BrFNO — CID 105015520

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cc(C)oc1C
InChIInChI=1S/C15H17BrFNO/c1-9-4-14(10(2)19-9)15(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,15,18H,7H2,1-3H3
InChIKeyKQOXPASWMWVVTM-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine (PubChem CID 105015520) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
PubChem CID105015520
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cc(C)oc1C
InChIInChI=1S/C15H17BrFNO/c1-9-4-14(10(2)19-9)15(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,15,18H,7H2,1-3H3
InChIKeyKQOXPASWMWVVTM-UHFFFAOYSA-N
XLogP4.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812659
2-(3-bromo-5-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105015525
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine (CID 105015520) is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1cc(C)oc1C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine?
The InChIKey is KQOXPASWMWVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-9-4-14(10(2)19-9)15(18-3)7-11-5-12(16)8-13(17)6-11/h4-6,8,15,18H,7H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine has a molecular weight of 326.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine is sourced from PubChem (CID 105015520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).