1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine

C13H15BrN2O — CID 105180938

IUPAC1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O/c14-10-3-5-12(16-9-10)8-11(15)4-6-13-2-1-7-17-13/h1-3,5,7,9,11H,4,6,8,15H2
InChIKeyLLYJOQOCQQHLGL-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine

1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine (PubChem CID 105180938) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
PubChem CID105180938
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O/c14-10-3-5-12(16-9-10)8-11(15)4-6-13-2-1-7-17-13/h1-3,5,7,9,11H,4,6,8,15H2
InChIKeyLLYJOQOCQQHLGL-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
CID 105160147
2-[4-(4-bromophenyl)-3-chlorobutyl]furan
CID 63519888
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine (CID 105180938) is 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine is NC(CCc1ccco1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is LLYJOQOCQQHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-10-3-5-12(16-9-10)8-11(15)4-6-13-2-1-7-17-13/h1-3,5,7,9,11H,4,6,8,15H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine?
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105180938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).