1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine

C14H19NO2 — CID 81049591

IUPAC1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccc(CCOC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-10-12-8-11(6-7-16-3)4-5-13(12)17-14(10)9-15-2/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyHTZKZVUFDYSMIU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds5

About 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine

1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 81049591) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID81049591
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccc(CCOC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-10-12-8-11(6-7-16-3)4-5-13(12)17-14(10)9-15-2/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyHTZKZVUFDYSMIU-UHFFFAOYSA-N
XLogP2.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine (CID 81049591) is 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine is CNCc1oc2ccc(CCOC)cc2c1C.
What is the InChIKey of 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is HTZKZVUFDYSMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-12-8-11(6-7-16-3)4-5-13(12)17-14(10)9-15-2/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).