1,3,3-trimethyl-2-benzofuran-1-amine

C11H15NO — CID 174795974

IUPAC1,3,3-trimethyl-2-benzofuran-1-amine
SMILESCC1(C)OC(C)(N)c2ccccc21
InChIInChI=1S/C11H15NO/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7H,12H2,1-3H3
InChIKeyXNWBJCOWWIHMHS-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.08
Rot. Bonds

About 1,3,3-trimethyl-2-benzofuran-1-amine

1,3,3-trimethyl-2-benzofuran-1-amine (PubChem CID 174795974) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-benzofuran-1-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-2-benzofuran-1-amine
PubChem CID174795974
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1,3,3-trimethyl-2-benzofuran-1-amine
SMILESCC1(C)OC(C)(N)c2ccccc21
InChIInChI=1S/C11H15NO/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7H,12H2,1-3H3
InChIKeyXNWBJCOWWIHMHS-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
CID 15562711
1,1,3,3,4-pentamethyl-4H-isochromene
CID 151408843
1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol
CID 13074860
4-amino-1,1-dimethyl-3H-isochromene-4-carbaldehyde
CID 174379209
1,1,3,3-tetramethyl-2H-isoindole
CID 641027
ethane;2,2,3,3-tetramethyl-1-benzofuran
CID 144945453
1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
CID 177421656
1,8-dimethyl-15,16,17-trioxatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 165346598
2-diazo-1,1,3,3-tetramethylindene
CID 12732507
2-ethylidene-1,1,3,3-tetramethylindene
CID 71425228
1,1,3,3-tetramethyl-2,1-benzoxasilole
CID 90354910
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
CID 130034849

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-benzofuran-1-amine?
The IUPAC name of 1,3,3-trimethyl-2-benzofuran-1-amine (CID 174795974) is 1,3,3-trimethyl-2-benzofuran-1-amine.
What is the SMILES notation for 1,3,3-trimethyl-2-benzofuran-1-amine?
The canonical SMILES for 1,3,3-trimethyl-2-benzofuran-1-amine is CC1(C)OC(C)(N)c2ccccc21.
What is the InChIKey of 1,3,3-trimethyl-2-benzofuran-1-amine?
The InChIKey is XNWBJCOWWIHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7H,12H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-benzofuran-1-amine?
1,3,3-trimethyl-2-benzofuran-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-benzofuran-1-amine is sourced from PubChem (CID 174795974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).