N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine

C16H18F3NO — CID 63399021

IUPACN-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C)c(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO/c1-4-20-11(3)14-7-8-15(21-14)12-6-5-10(2)13(9-12)16(17,18)19/h5-9,11,20H,4H2,1-3H3
InChIKeyXOWDRARCHYNWIW-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.94
Rot. Bonds4

About N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine

N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine (PubChem CID 63399021) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
PubChem CID63399021
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C)c(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO/c1-4-20-11(3)14-7-8-15(21-14)12-6-5-10(2)13(9-12)16(17,18)19/h5-9,11,20H,4H2,1-3H3
InChIKeyXOWDRARCHYNWIW-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
CID 65489059
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 64855703
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-amine
CID 64855524
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine (CID 63399021) is N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine is CCNC(C)c1ccc(-c2ccc(C)c(C(F)(F)F)c2)o1.
What is the InChIKey of N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
The InChIKey is XOWDRARCHYNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-4-20-11(3)14-7-8-15(21-14)12-6-5-10(2)13(9-12)16(17,18)19/h5-9,11,20H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine?
N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine is sourced from PubChem (CID 63399021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).