2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

C20H24FNO — CID 10567186

IUPAC2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C20H24FNO/c1-12-13(2)19-17(14(3)18(12)22)11-20(4,23-19)10-9-15-5-7-16(21)8-6-15/h5-8H,9-11,22H2,1-4H3
InChIKeyMHYNVJVRWPXSMU-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.66
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10567186) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10567186
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C20H24FNO/c1-12-13(2)19-17(14(3)18(12)22)11-20(4,23-19)10-9-15-5-7-16(21)8-6-15/h5-8H,9-11,22H2,1-4H3
InChIKeyMHYNVJVRWPXSMU-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10567186) is 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CCc1ccc(F)cc1)O2.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is MHYNVJVRWPXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-12-13(2)19-17(14(3)18(12)22)11-20(4,23-19)10-9-15-5-7-16(21)8-6-15/h5-8H,9-11,22H2,1-4H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 313.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10567186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).