(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine

C11H13NO2 — CID 130495135

IUPAC(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
SMILESCc1cc(C(N)c2ccco2)oc1C
InChIInChI=1S/C11H13NO2/c1-7-6-10(14-8(7)2)11(12)9-4-3-5-13-9/h3-6,11H,12H2,1-2H3
InChIKeyUJRBTZIVGHBIBU-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.54
Rot. Bonds2

About (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine

(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine (PubChem CID 130495135) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
PubChem CID130495135
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
SMILESCc1cc(C(N)c2ccco2)oc1C
InChIInChI=1S/C11H13NO2/c1-7-6-10(14-8(7)2)11(12)9-4-3-5-13-9/h3-6,11H,12H2,1-2H3
InChIKeyUJRBTZIVGHBIBU-UHFFFAOYSA-N
XLogP2.54
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 55269817
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
CID 130856720
furan-2-yl(pyrimidin-2-yl)methanamine
CID 63949375
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine?
The IUPAC name of (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine (CID 130495135) is (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine is Cc1cc(C(N)c2ccco2)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine?
The InChIKey is UJRBTZIVGHBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-10(14-8(7)2)11(12)9-4-3-5-13-9/h3-6,11H,12H2,1-2H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine?
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine has a molecular weight of 191.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine is sourced from PubChem (CID 130495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).