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

C12H19NO — CID 112715156

IUPACN,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine
SMILESCNC1c2oc(C)cc2CCC1(C)C
InChIInChI=1S/C12H19NO/c1-8-7-9-5-6-12(2,3)11(13-4)10(9)14-8/h7,11,13H,5-6H2,1-4H3
InChIKeyIOPXVQHTKNQVNW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.82
Rot. Bonds1

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

N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine (PubChem CID 112715156) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine.

Molecular Properties

Compound NameN,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine
PubChem CID112715156
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine
SMILESCNC1c2oc(C)cc2CCC1(C)C
InChIInChI=1S/C12H19NO/c1-8-7-9-5-6-12(2,3)11(13-4)10(9)14-8/h7,11,13H,5-6H2,1-4H3
InChIKeyIOPXVQHTKNQVNW-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The IUPAC name of N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine (CID 112715156) is N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine.
What is the SMILES notation for N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The canonical SMILES for N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine is CNC1c2oc(C)cc2CCC1(C)C.
What is the InChIKey of N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
The InChIKey is IOPXVQHTKNQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-7-9-5-6-12(2,3)11(13-4)10(9)14-8/h7,11,13H,5-6H2,1-4H3.
What are the key properties of N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine?
N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine has a molecular weight of 193.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6,6-tetramethyl-5,7-dihydro-4H-1-benzofuran-7-amine is sourced from PubChem (CID 112715156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).