7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine

C20H25NO2 — CID 68706576

IUPAC7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOc1c(C)c(N)c(C)c2c1OCC2c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-11(2)14-6-8-15(9-7-14)16-10-23-20-17(16)12(3)18(21)13(4)19(20)22-5/h6-9,11,16H,10,21H2,1-5H3
InChIKeyHFJWNEZATSMSTN-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.54
Rot. Bonds3

About 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine

7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 68706576) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID68706576
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOc1c(C)c(N)c(C)c2c1OCC2c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-11(2)14-6-8-15(9-7-14)16-10-23-20-17(16)12(3)18(21)13(4)19(20)22-5/h6-9,11,16H,10,21H2,1-5H3
InChIKeyHFJWNEZATSMSTN-UHFFFAOYSA-N
XLogP4.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.54
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-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine (CID 68706576) is 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine is COc1c(C)c(N)c(C)c2c1OCC2c1ccc(C(C)C)cc1.
What is the InChIKey of 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is HFJWNEZATSMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-11(2)14-6-8-15(9-7-14)16-10-23-20-17(16)12(3)18(21)13(4)19(20)22-5/h6-9,11,16H,10,21H2,1-5H3.
What are the key properties of 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 311.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 68706576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).