2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C11H17NO — CID 24697785

IUPAC2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2N
InChIInChI=1S/C11H17NO/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4,9H,5-6,12H2,1-3H3
InChIKeyRELXSYKVCJJEHC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.56
Rot. Bonds

About 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 24697785) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID24697785
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2N
InChIInChI=1S/C11H17NO/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4,9H,5-6,12H2,1-3H3
InChIKeyRELXSYKVCJJEHC-UHFFFAOYSA-N
XLogP2.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 24697785) is 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is RELXSYKVCJJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4,9H,5-6,12H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 179.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 24697785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).