(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C15H16F3NO — CID 102758778

IUPAC(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(N)c2ccc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C15H16F3NO/c1-3-11-5-7-13(20-11)14(19)12-6-4-10(8-9(12)2)15(16,17)18/h4-8,14H,3,19H2,1-2H3
InChIKeyFEHHYTKCQXKVMR-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.22
Rot. Bonds3

About (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758778) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758778
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(N)c2ccc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C15H16F3NO/c1-3-11-5-7-13(20-11)14(19)12-6-4-10(8-9(12)2)15(16,17)18/h4-8,14H,3,19H2,1-2H3
InChIKeyFEHHYTKCQXKVMR-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethylfuran-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 79094304
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758778) is (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CCc1ccc(C(N)c2ccc(C(F)(F)F)cc2C)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FEHHYTKCQXKVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-11-5-7-13(20-11)14(19)12-6-4-10(8-9(12)2)15(16,17)18/h4-8,14H,3,19H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).