1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

C16H23NO — CID 113459838

IUPAC1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NO/c1-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17-5/h7-9,17H,6,10H2,1-5H3
InChIKeyBAPYYKIRKZKLAF-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.01
Rot. Bonds3

About 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 113459838) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID113459838
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NO/c1-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17-5/h7-9,17H,6,10H2,1-5H3
InChIKeyBAPYYKIRKZKLAF-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 113459838) is 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is BAPYYKIRKZKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17-5/h7-9,17H,6,10H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 245.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 113459838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).