(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine

C13H14FNO — CID 43463930

IUPAC(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H14FNO/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3
InChIKeyOTAGLJGIGXDVAO-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.08
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine

(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine (PubChem CID 43463930) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine
PubChem CID43463930
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H14FNO/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3
InChIKeyOTAGLJGIGXDVAO-UHFFFAOYSA-N
XLogP3.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine (CID 43463930) is (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine is Cc1cc(C(N)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine?
The InChIKey is OTAGLJGIGXDVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine?
(2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 43463930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).