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

C17H23NO — CID 104990456

IUPAC(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2c(C)oc(C)c2C)cc1C
InChIInChI=1S/C17H23NO/c1-9-7-11(3)15(8-10(9)2)17(18)16-12(4)13(5)19-14(16)6/h7-8,17H,18H2,1-6H3
InChIKeyKLXPQOQIYLSFKE-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds2

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

(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990456) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990456
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2c(C)oc(C)c2C)cc1C
InChIInChI=1S/C17H23NO/c1-9-7-11(3)15(8-10(9)2)17(18)16-12(4)13(5)19-14(16)6/h7-8,17H,18H2,1-6H3
InChIKeyKLXPQOQIYLSFKE-UHFFFAOYSA-N
XLogP4.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine (CID 104990456) is (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2c(C)oc(C)c2C)cc1C.
What is the InChIKey of (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is KLXPQOQIYLSFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-9-7-11(3)15(8-10(9)2)17(18)16-12(4)13(5)19-14(16)6/h7-8,17H,18H2,1-6H3.
What are the key properties of (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine?
(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).