4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline

C17H17NO2 — CID 11673398

IUPAC4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2oc(-c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C17H17NO2/c1-18(2)14-6-4-12(5-7-14)17-11-13-10-15(19-3)8-9-16(13)20-17/h4-11H,1-3H3
InChIKeyKKKKLHNEZMGUPC-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.17
Rot. Bonds3

About 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline

4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline (PubChem CID 11673398) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline
PubChem CID11673398
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2oc(-c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C17H17NO2/c1-18(2)14-6-4-12(5-7-14)17-11-13-10-15(19-3)8-9-16(13)20-17/h4-11H,1-3H3
InChIKeyKKKKLHNEZMGUPC-UHFFFAOYSA-N
XLogP4.17
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline (CID 11673398) is 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline is COc1ccc2oc(-c3ccc(N(C)C)cc3)cc2c1.
What is the InChIKey of 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline?
The InChIKey is KKKKLHNEZMGUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(2)14-6-4-12(5-7-14)17-11-13-10-15(19-3)8-9-16(13)20-17/h4-11H,1-3H3.
What are the key properties of 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline?
4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline has a molecular weight of 267.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 11673398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).