2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine

C13H15BrN2O — CID 104802174

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccoc1
InChIInChI=1S/C13H15BrN2O/c1-2-15-13(10-5-6-17-9-10)7-12-4-3-11(14)8-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyFLXBWOZMRRQYSR-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.33
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine (PubChem CID 104802174) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
PubChem CID104802174
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccoc1
InChIInChI=1S/C13H15BrN2O/c1-2-15-13(10-5-6-17-9-10)7-12-4-3-11(14)8-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyFLXBWOZMRRQYSR-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
2-(5-bromo-2-pyridinyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105036305
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128127
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine (CID 104802174) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine is CCNC(Cc1ccc(Br)cn1)c1ccoc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The InChIKey is FLXBWOZMRRQYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-15-13(10-5-6-17-9-10)7-12-4-3-11(14)8-16-12/h3-6,8-9,13,15H,2,7H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine has a molecular weight of 295.18 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 104802174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).