6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine

C26H29NO — CID 134527978

IUPAC6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
SMILESCC(C)c1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C26H29NO/c1-17(2)18-11-7-8-15-22(18)27(6)23-16-10-13-20-19-12-9-14-21(26(3,4)5)24(19)28-25(20)23/h7-17H,1-6H3
InChIKeyMDIZDPFXXSXNEP-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.77
Rot. Bonds3

About 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine

6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 134527978) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
PubChem CID134527978
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
SMILESCC(C)c1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C26H29NO/c1-17(2)18-11-7-8-15-22(18)27(6)23-16-10-13-20-19-12-9-14-21(26(3,4)5)24(19)28-25(20)23/h7-17H,1-6H3
InChIKeyMDIZDPFXXSXNEP-UHFFFAOYSA-N
XLogP7.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine (CID 134527978) is 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine is CC(C)c1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is MDIZDPFXXSXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-17(2)18-11-7-8-15-22(18)27(6)23-16-10-13-20-19-12-9-14-21(26(3,4)5)24(19)28-25(20)23/h7-17H,1-6H3.
What are the key properties of 6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 371.52 g/mol, XLogP of 7.77, 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-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 134527978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).