2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine

C12H13BrN2O — CID 115732890

IUPAC2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2ccccn2)o1
InChIInChI=1S/C12H13BrN2O/c13-12-5-4-11(16-12)6-8-14-9-10-3-1-2-7-15-10/h1-5,7,14H,6,8-9H2
InChIKeyHOWAULCCGXGCLH-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.77
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 115732890) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID115732890
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2ccccn2)o1
InChIInChI=1S/C12H13BrN2O/c13-12-5-4-11(16-12)6-8-14-9-10-3-1-2-7-15-10/h1-5,7,14H,6,8-9H2
InChIKeyHOWAULCCGXGCLH-UHFFFAOYSA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
5-[(pyridin-2-ylmethylamino)methyl]furan-2-amine
CID 82344514
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 115732890) is 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine is Brc1ccc(CCNCc2ccccn2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is HOWAULCCGXGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-12-5-4-11(16-12)6-8-14-9-10-3-1-2-7-15-10/h1-5,7,14H,6,8-9H2.
What are the key properties of 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 281.15 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115732890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).