1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine

C13H12Br2FNO2 — CID 106852003

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(F)cc1OC)c1ccoc1Br
InChIInChI=1S/C13H12Br2FNO2/c1-17-12(7-3-4-19-13(7)15)8-5-9(14)10(16)6-11(8)18-2/h3-6,12,17H,1-2H3
InChIKeyGYNITTRIZTZDKX-UHFFFAOYSA-N
MW393.05 g/mol
LogP4.26
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine

1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (PubChem CID 106852003) has the molecular formula C13H12Br2FNO2 and a molecular weight of 393.05 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
PubChem CID106852003
Molecular FormulaC13H12Br2FNO2
Molecular Weight393.05 g/mol
Exact Mass390.92
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(F)cc1OC)c1ccoc1Br
InChIInChI=1S/C13H12Br2FNO2/c1-17-12(7-3-4-19-13(7)15)8-5-9(14)10(16)6-11(8)18-2/h3-6,12,17H,1-2H3
InChIKeyGYNITTRIZTZDKX-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.05
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 103394619
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 103394584
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 103394612
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103394657
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 103394542
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(4-bromo-2,5-difluorophenyl)-1-(4-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 115368993
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (CID 106852003) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine is CNC(c1cc(Br)c(F)cc1OC)c1ccoc1Br.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The InChIKey is GYNITTRIZTZDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2FNO2/c1-17-12(7-3-4-19-13(7)15)8-5-9(14)10(16)6-11(8)18-2/h3-6,12,17H,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine has a molecular weight of 393.05 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106852003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).