(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine

C11H15NO — CID 82599528

IUPAC(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
SMILESCC1(C)Cc2ccc(CN)cc2O1
InChIInChI=1S/C11H15NO/c1-11(2)6-9-4-3-8(7-12)5-10(9)13-11/h3-5H,6-7,12H2,1-2H3
InChIKeySDGVFEXQBBEZED-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.86
Rot. Bonds1

About (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine

(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine (PubChem CID 82599528) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
PubChem CID82599528
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
SMILESCC1(C)Cc2ccc(CN)cc2O1
InChIInChI=1S/C11H15NO/c1-11(2)6-9-4-3-8(7-12)5-10(9)13-11/h3-5H,6-7,12H2,1-2H3
InChIKeySDGVFEXQBBEZED-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
CID 151427934
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
CID 117402987
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
CID 65305870
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl 3-(2-bromoethynyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 20563456
2,2-dimethyl-5-prop-2-enyl-3H-1-benzofuran
CID 165448180
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine (CID 82599528) is (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine is CC1(C)Cc2ccc(CN)cc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine?
The InChIKey is SDGVFEXQBBEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)6-9-4-3-8(7-12)5-10(9)13-11/h3-5H,6-7,12H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine is sourced from PubChem (CID 82599528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).