7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine

C12H17NO2 — CID 163993929

IUPAC7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCOCc1cc(N)cc2c1OC(C)(C)C2
InChIInChI=1S/C12H17NO2/c1-12(2)6-8-4-10(13)5-9(7-14-3)11(8)15-12/h4-5H,6-7,13H2,1-3H3
InChIKeyUDASNJDJZJGWLD-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds2

About 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine

7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine (PubChem CID 163993929) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine
PubChem CID163993929
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCOCc1cc(N)cc2c1OC(C)(C)C2
InChIInChI=1S/C12H17NO2/c1-12(2)6-8-4-10(13)5-9(7-14-3)11(8)15-12/h4-5H,6-7,13H2,1-3H3
InChIKeyUDASNJDJZJGWLD-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine (CID 163993929) is 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine is COCc1cc(N)cc2c1OC(C)(C)C2.
What is the InChIKey of 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine?
The InChIKey is UDASNJDJZJGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)6-8-4-10(13)5-9(7-14-3)11(8)15-12/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine?
7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine has a molecular weight of 207.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2,2-dimethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 163993929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).