(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine

C11H15NO — CID 18525713

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
SMILESCC1(C)Cc2cccc(CN)c2O1
InChIInChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7,12H2,1-2H3
InChIKeyBQEPNISHAAOSFF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.86
Rot. Bonds1

About (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine (PubChem CID 18525713) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
PubChem CID18525713
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
SMILESCC1(C)Cc2cccc(CN)c2O1
InChIInChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7,12H2,1-2H3
InChIKeyBQEPNISHAAOSFF-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

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
CID 64508349
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 64865805
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine (CID 18525713) is (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine is CC1(C)Cc2cccc(CN)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine?
The InChIKey is BQEPNISHAAOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7,12H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-7-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-7-yl)methanamine is sourced from PubChem (CID 18525713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).