N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine

C14H20N2O — CID 115251519

IUPACN'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-2-11(7-15)8-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10-11,16H,2,7-9,15H2,1H3
InChIKeyWMYNRQFHPQTAEW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.51
Rot. Bonds6

About N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine

N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine (PubChem CID 115251519) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
PubChem CID115251519
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-2-11(7-15)8-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10-11,16H,2,7-9,15H2,1H3
InChIKeyWMYNRQFHPQTAEW-UHFFFAOYSA-N
XLogP2.51
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
CID 103826324
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
2-[(1-benzofuran-3-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250348
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
CID 115251452
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine (CID 115251519) is N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine is CCC(CN)CNCc1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine?
The InChIKey is WMYNRQFHPQTAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11(7-15)8-16-9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10-11,16H,2,7-9,15H2,1H3.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine?
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine is sourced from PubChem (CID 115251519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).