1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C13H13BrFNO — CID 104789896

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Br)ccc1F)c1ccoc1C
InChIInChI=1S/C13H13BrFNO/c1-8-10(5-6-17-8)13(16-2)11-7-9(14)3-4-12(11)15/h3-7,13,16H,1-2H3
InChIKeyQQEOYFWSWMDEGV-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 104789896) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID104789896
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Br)ccc1F)c1ccoc1C
InChIInChI=1S/C13H13BrFNO/c1-8-10(5-6-17-8)13(16-2)11-7-9(14)3-4-12(11)15/h3-7,13,16H,1-2H3
InChIKeyQQEOYFWSWMDEGV-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(4-bromo-2-methylphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 115827845
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 104789896) is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc(Br)ccc1F)c1ccoc1C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is QQEOYFWSWMDEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8-10(5-6-17-8)13(16-2)11-7-9(14)3-4-12(11)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 298.16 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104789896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).