N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C17H20N2OS — CID 80701630

IUPACN'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1coc2ccccc12)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-19(2)15(17-8-5-9-21-17)11-18-10-13-12-20-16-7-4-3-6-14(13)16/h3-9,12,15,18H,10-11H2,1-2H3
InChIKeyOFEQBDLAWWQXIG-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.89
Rot. Bonds6

About N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 80701630) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID80701630
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1coc2ccccc12)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-19(2)15(17-8-5-9-21-17)11-18-10-13-12-20-16-7-4-3-6-14(13)16/h3-9,12,15,18H,10-11H2,1-2H3
InChIKeyOFEQBDLAWWQXIG-UHFFFAOYSA-N
XLogP3.89
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 80701630) is N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCc1coc2ccccc12)c1cccs1.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is OFEQBDLAWWQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19(2)15(17-8-5-9-21-17)11-18-10-13-12-20-16-7-4-3-6-14(13)16/h3-9,12,15,18H,10-11H2,1-2H3.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 300.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 80701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).