6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine

C25H27NO — CID 134527976

IUPAC6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C25H27NO/c1-6-17-11-7-8-15-21(17)26(5)22-16-10-13-19-18-12-9-14-20(25(2,3)4)23(18)27-24(19)22/h7-16H,6H2,1-5H3
InChIKeyKXTLLSNDVANOPE-UHFFFAOYSA-N
MW357.50 g/mol
LogP7.21
Rot. Bonds3

About 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine

6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine (PubChem CID 134527976) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
PubChem CID134527976
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C25H27NO/c1-6-17-11-7-8-15-21(17)26(5)22-16-10-13-19-18-12-9-14-20(25(2,3)4)23(18)27-24(19)22/h7-16H,6H2,1-5H3
InChIKeyKXTLLSNDVANOPE-UHFFFAOYSA-N
XLogP7.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
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
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089
6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
6-tert-butyl-N-(2-cyclohexylphenyl)-N-methyldibenzofuran-4-amine
CID 134527983
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
CID 145276740
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine (CID 134527976) is 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine is CCc1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine?
The InChIKey is KXTLLSNDVANOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-6-17-11-7-8-15-21(17)26(5)22-16-10-13-19-18-12-9-14-20(25(2,3)4)23(18)27-24(19)22/h7-16H,6H2,1-5H3.
What are the key properties of 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine?
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine has a molecular weight of 357.50 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine is sourced from PubChem (CID 134527976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).