1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine

C13H13Br2NO — CID 61066395

IUPAC1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13Br2NO/c1-16-11(12-6-7-13(15)17-12)8-9-2-4-10(14)5-3-9/h2-7,11,16H,8H2,1H3
InChIKeyVHYFBFJGYRNYQS-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.31
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine

1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine (PubChem CID 61066395) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
PubChem CID61066395
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC Name1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13Br2NO/c1-16-11(12-6-7-13(15)17-12)8-9-2-4-10(14)5-3-9/h2-7,11,16H,8H2,1H3
InChIKeyVHYFBFJGYRNYQS-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.06
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114221
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115841556
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
CID 105028730
1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 115793920
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106688071

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine (CID 61066395) is 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine?
The InChIKey is VHYFBFJGYRNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-16-11(12-6-7-13(15)17-12)8-9-2-4-10(14)5-3-9/h2-7,11,16H,8H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine?
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine has a molecular weight of 359.06 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 61066395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).