2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine

C15H17BrFNO — CID 115843716

IUPAC2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(C)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-14(15-7-4-10(2)19-15)9-11-8-12(17)5-6-13(11)16/h4-8,14,18H,3,9H2,1-2H3
InChIKeyORMYQEAHJVYUJQ-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.38
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115843716) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115843716
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(C)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-14(15-7-4-10(2)19-15)9-11-8-12(17)5-6-13(11)16/h4-8,14,18H,3,9H2,1-2H3
InChIKeyORMYQEAHJVYUJQ-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
[2-(2-bromo-4-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105296699
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine (CID 115843716) is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine is CCNC(Cc1cc(F)ccc1Br)c1ccc(C)o1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ORMYQEAHJVYUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-18-14(15-7-4-10(2)19-15)9-11-8-12(17)5-6-13(11)16/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 326.21 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115843716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).