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

C14H20N2O — CID 113410163

IUPACN'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-2-15-8-5-9-16-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15-16H,2,5,8-10H2,1H3
InChIKeyGDJKYQKAIJKKPF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.52
Rot. Bonds7

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

N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine (PubChem CID 113410163) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
PubChem CID113410163
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-2-15-8-5-9-16-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15-16H,2,5,8-10H2,1H3
InChIKeyGDJKYQKAIJKKPF-UHFFFAOYSA-N
XLogP2.52
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 80701629
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N-(1-benzofuran-3-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183475
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine (CID 113410163) is N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine is CCNCCCNCc1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine?
The InChIKey is GDJKYQKAIJKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-15-8-5-9-16-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15-16H,2,5,8-10H2,1H3.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine?
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.52, 7 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)-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 113410163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).