7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine

C16H25NO2 — CID 81480123

IUPAC7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(cc(C)cc2C(C)(C)C)C1NOC
InChIInChI=1S/C16H25NO2/c1-7-13-14(17-18-6)11-8-10(2)9-12(15(11)19-13)16(3,4)5/h8-9,13-14,17H,7H2,1-6H3
InChIKeyGJFQXLJZLDIISM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.66
Rot. Bonds3

About 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine

7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81480123) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81480123
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(cc(C)cc2C(C)(C)C)C1NOC
InChIInChI=1S/C16H25NO2/c1-7-13-14(17-18-6)11-8-10(2)9-12(15(11)19-13)16(3,4)5/h8-9,13-14,17H,7H2,1-6H3
InChIKeyGJFQXLJZLDIISM-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 81480123) is 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2c(cc(C)cc2C(C)(C)C)C1NOC.
What is the InChIKey of 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GJFQXLJZLDIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-13-14(17-18-6)11-8-10(2)9-12(15(11)19-13)16(3,4)5/h8-9,13-14,17H,7H2,1-6H3.
What are the key properties of 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 263.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81480123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).