1,4-bis(furan-2-yl)butan-2-amine

C12H15NO2 — CID 105177346

IUPAC1,4-bis(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccco1
InChIInChI=1S/C12H15NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h1-4,7-8,10H,5-6,9,13H2
InChIKeyULVYNKVAQMHKEB-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds5

About 1,4-bis(furan-2-yl)butan-2-amine

1,4-bis(furan-2-yl)butan-2-amine (PubChem CID 105177346) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,4-bis(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1,4-bis(furan-2-yl)butan-2-amine
PubChem CID105177346
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1,4-bis(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccco1
InChIInChI=1S/C12H15NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h1-4,7-8,10H,5-6,9,13H2
InChIKeyULVYNKVAQMHKEB-UHFFFAOYSA-N
XLogP2.38
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341
1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
CID 105177500
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
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(furan-2-yl)butan-2-amine?
The IUPAC name of 1,4-bis(furan-2-yl)butan-2-amine (CID 105177346) is 1,4-bis(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1,4-bis(furan-2-yl)butan-2-amine?
The canonical SMILES for 1,4-bis(furan-2-yl)butan-2-amine is NC(CCc1ccco1)Cc1ccco1.
What is the InChIKey of 1,4-bis(furan-2-yl)butan-2-amine?
The InChIKey is ULVYNKVAQMHKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-10(9-12-4-2-8-15-12)5-6-11-3-1-7-14-11/h1-4,7-8,10H,5-6,9,13H2.
What are the key properties of 1,4-bis(furan-2-yl)butan-2-amine?
1,4-bis(furan-2-yl)butan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105177346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).