6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

C24H22F3NO — CID 138651769

IUPAC6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C24H22F3NO/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)29-21(17)19)28(4)16-13-11-15(12-14-16)24(25,26)27/h5-14H,1-4H3
InChIKeyOWRHMRFWWXFJOX-UHFFFAOYSA-N
MW397.44 g/mol
LogP7.67
Rot. Bonds2

About 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (PubChem CID 138651769) has the molecular formula C24H22F3NO and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
PubChem CID138651769
Molecular FormulaC24H22F3NO
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C24H22F3NO/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)29-21(17)19)28(4)16-13-11-15(12-14-16)24(25,26)27/h5-14H,1-4H3
InChIKeyOWRHMRFWWXFJOX-UHFFFAOYSA-N
XLogP7.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 137416728
N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138652817
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
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
6-tert-butyl-N-(2-cyclohexylphenyl)-N-methyldibenzofuran-4-amine
CID 134527983
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
CID 144918654

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (CID 138651769) is 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is CN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The InChIKey is OWRHMRFWWXFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)29-21(17)19)28(4)16-13-11-15(12-14-16)24(25,26)27/h5-14H,1-4H3.
What are the key properties of 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine has a molecular weight of 397.44 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 138651769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).