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

C12H13BrN2O — CID 105036214

IUPAC2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cn2)co1
InChIInChI=1S/C12H13BrN2O/c1-8-4-9(7-16-8)12(14)5-11-3-2-10(13)6-15-11/h2-4,6-7,12H,5,14H2,1H3
InChIKeyNYPXGTGYSDJGPK-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.99
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 105036214) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
PubChem CID105036214
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cn2)co1
InChIInChI=1S/C12H13BrN2O/c1-8-4-9(7-16-8)12(14)5-11-3-2-10(13)6-15-11/h2-4,6-7,12H,5,14H2,1H3
InChIKeyNYPXGTGYSDJGPK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine (CID 105036214) is 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)cn2)co1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is NYPXGTGYSDJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-4-9(7-16-8)12(14)5-11-3-2-10(13)6-15-11/h2-4,6-7,12H,5,14H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-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-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 105036214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).