2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine

C17H20N2O2 — CID 54404395

IUPAC2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1coc2ccc(-c3ccc(CN)o3)cc12
InChIInChI=1S/C17H20N2O2/c1-19(2)8-7-13-11-20-17-5-3-12(9-15(13)17)16-6-4-14(10-18)21-16/h3-6,9,11H,7-8,10,18H2,1-2H3
InChIKeyVPQHRDFKINDXGI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.26
Rot. Bonds5

About 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine

2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine (PubChem CID 54404395) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine
PubChem CID54404395
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1coc2ccc(-c3ccc(CN)o3)cc12
InChIInChI=1S/C17H20N2O2/c1-19(2)8-7-13-11-20-17-5-3-12(9-15(13)17)16-6-4-14(10-18)21-16/h3-6,9,11H,7-8,10,18H2,1-2H3
InChIKeyVPQHRDFKINDXGI-UHFFFAOYSA-N
XLogP3.26
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine (CID 54404395) is 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine is CN(C)CCc1coc2ccc(-c3ccc(CN)o3)cc12.
What is the InChIKey of 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine?
The InChIKey is VPQHRDFKINDXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)8-7-13-11-20-17-5-3-12(9-15(13)17)16-6-4-14(10-18)21-16/h3-6,9,11H,7-8,10,18H2,1-2H3.
What are the key properties of 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine?
2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(aminomethyl)furan-2-yl]-1-benzofuran-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 54404395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).