N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine

C22H18F3NO — CID 134527991

IUPACN-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C22H18F3NO/c1-3-14-8-4-5-12-18(14)26(2)19-13-7-10-16-15-9-6-11-17(22(23,24)25)20(15)27-21(16)19/h4-13H,3H2,1-2H3
InChIKeyPDDABYBPBRNQOL-UHFFFAOYSA-N
MW369.39 g/mol
LogP6.94
Rot. Bonds3

About N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine

N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine (PubChem CID 134527991) has the molecular formula C22H18F3NO and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
PubChem CID134527991
Molecular FormulaC22H18F3NO
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC NameN-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C22H18F3NO/c1-3-14-8-4-5-12-18(14)26(2)19-13-7-10-16-15-9-6-11-17(22(23,24)25)20(15)27-21(16)19/h4-13H,3H2,1-2H3
InChIKeyPDDABYBPBRNQOL-UHFFFAOYSA-N
XLogP6.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089
N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
CID 145276740
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine?
The IUPAC name of N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine (CID 134527991) is N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine is CCc1ccccc1N(C)c1cccc2c1oc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine?
The InChIKey is PDDABYBPBRNQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO/c1-3-14-8-4-5-12-18(14)26(2)19-13-7-10-16-15-9-6-11-17(22(23,24)25)20(15)27-21(16)19/h4-13H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine?
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine has a molecular weight of 369.39 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine is sourced from PubChem (CID 134527991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).