5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine

C16H25NO — CID 43512484

IUPAC5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N
InChIInChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3
InChIKeyCWFZZUNKAHBDRM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds

About 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine

5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512484) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512484
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N
InChIInChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3
InChIKeyCWFZZUNKAHBDRM-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512484) is 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N.
What is the InChIKey of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CWFZZUNKAHBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3.
What are the key properties of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).