phenyl-(2,4,5-trimethylfuran-3-yl)methanamine

C14H17NO — CID 65151589

IUPACphenyl-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2ccccc2)c1C
InChIInChI=1S/C14H17NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h4-8,14H,15H2,1-3H3
InChIKeyROQJXYIZMAWLPA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.25
Rot. Bonds2

About phenyl-(2,4,5-trimethylfuran-3-yl)methanamine

phenyl-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151589) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is phenyl-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Namephenyl-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151589
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namephenyl-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2ccccc2)c1C
InChIInChI=1S/C14H17NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h4-8,14H,15H2,1-3H3
InChIKeyROQJXYIZMAWLPA-UHFFFAOYSA-N
XLogP3.25
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of phenyl-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151589) is phenyl-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for phenyl-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for phenyl-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1oc(C)c(C(N)c2ccccc2)c1C.
What is the InChIKey of phenyl-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is ROQJXYIZMAWLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h4-8,14H,15H2,1-3H3.
What are the key properties of phenyl-(2,4,5-trimethylfuran-3-yl)methanamine?
phenyl-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).