1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine

C13H12BrClFNO — CID 106858959

IUPAC1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccoc1Br
InChIInChI=1S/C13H12BrClFNO/c1-17-12(10-4-5-18-13(10)14)7-8-6-9(15)2-3-11(8)16/h2-6,12,17H,7H2,1H3
InChIKeyJJZGLLUDTVOORF-UHFFFAOYSA-N
MW332.60 g/mol
LogP4.34
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine

1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 106858959) has the molecular formula C13H12BrClFNO and a molecular weight of 332.60 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID106858959
Molecular FormulaC13H12BrClFNO
Molecular Weight332.60 g/mol
Exact Mass330.98
IUPAC Name1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccoc1Br
InChIInChI=1S/C13H12BrClFNO/c1-17-12(10-4-5-18-13(10)14)7-8-6-9(15)2-3-11(8)16/h2-6,12,17H,7H2,1H3
InChIKeyJJZGLLUDTVOORF-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
[2-(5-chloro-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 103053706
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine (CID 106858959) is 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is JJZGLLUDTVOORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNO/c1-17-12(10-4-5-18-13(10)14)7-8-6-9(15)2-3-11(8)16/h2-6,12,17H,7H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 332.60 g/mol, XLogP of 4.34, 4 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)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 106858959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).