2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine

C12H13BrN2O — CID 104804107

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1cncc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-8-2-3-16-12(8)11(14)5-9-4-10(13)7-15-6-9/h2-4,6-7,11H,5,14H2,1H3
InChIKeyKGLIPPQHWSPRBA-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804107) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804107
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1cncc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-8-2-3-16-12(8)11(14)5-9-4-10(13)7-15-6-9/h2-4,6-7,11H,5,14H2,1H3
InChIKeyKGLIPPQHWSPRBA-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804281
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine (CID 104804107) is 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine is Cc1ccoc1C(N)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is KGLIPPQHWSPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-2-3-16-12(8)11(14)5-9-4-10(13)7-15-6-9/h2-4,6-7,11H,5,14H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 281.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).