1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

C13H13BrFNO — CID 106857490

IUPAC1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1C)c1ccoc1Br
InChIInChI=1S/C13H13BrFNO/c1-8-7-9(15)3-4-10(8)12(16-2)11-5-6-17-13(11)14/h3-7,12,16H,1-2H3
InChIKeyAGSUJYQYYNIPKP-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 106857490) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID106857490
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1C)c1ccoc1Br
InChIInChI=1S/C13H13BrFNO/c1-8-7-9(15)3-4-10(8)12(16-2)11-5-6-17-13(11)14/h3-7,12,16H,1-2H3
InChIKeyAGSUJYQYYNIPKP-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

Analyze 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 106851847
1-(2-bromofuran-3-yl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 106851575
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
[(2-bromofuran-3-yl)-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 106860290
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (CID 106857490) is 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1C)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is AGSUJYQYYNIPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8-7-9(15)3-4-10(8)12(16-2)11-5-6-17-13(11)14/h3-7,12,16H,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine 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-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106857490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).