[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine

C17H21NO3 — CID 62452781

IUPAC[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine
SMILESCc1oc(COc2cccc3c2OC(C)(C)C3)cc1CN
InChIInChI=1S/C17H21NO3/c1-11-13(9-18)7-14(20-11)10-19-15-6-4-5-12-8-17(2,3)21-16(12)15/h4-7H,8-10,18H2,1-3H3
InChIKeyTXKYIQVJLGDVGL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.34
Rot. Bonds4

About [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine

[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine (PubChem CID 62452781) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine
PubChem CID62452781
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine
SMILESCc1oc(COc2cccc3c2OC(C)(C)C3)cc1CN
InChIInChI=1S/C17H21NO3/c1-11-13(9-18)7-14(20-11)10-19-15-6-4-5-12-8-17(2,3)21-16(12)15/h4-7H,8-10,18H2,1-3H3
InChIKeyTXKYIQVJLGDVGL-UHFFFAOYSA-N
XLogP3.34
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine (CID 62452781) is [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine is Cc1oc(COc2cccc3c2OC(C)(C)C3)cc1CN.
What is the InChIKey of [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is TXKYIQVJLGDVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-13(9-18)7-14(20-11)10-19-15-6-4-5-12-8-17(2,3)21-16(12)15/h4-7H,8-10,18H2,1-3H3.
What are the key properties of [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine?
[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62452781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).