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

C18H20N2O — CID 104869951

IUPACN'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1coc2ccccc12
InChIInChI=1S/C18H20N2O/c19-10-11-20(12-15-6-2-1-3-7-15)13-16-14-21-18-9-5-4-8-17(16)18/h1-9,14H,10-13,19H2
InChIKeyYFNJEWZCCHTCMX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.39
Rot. Bonds6

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

N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine (PubChem CID 104869951) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine
PubChem CID104869951
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1coc2ccccc12
InChIInChI=1S/C18H20N2O/c19-10-11-20(12-15-6-2-1-3-7-15)13-16-14-21-18-9-5-4-8-17(16)18/h1-9,14H,10-13,19H2
InChIKeyYFNJEWZCCHTCMX-UHFFFAOYSA-N
XLogP3.39
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-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

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N-[[4-(3-aminopropyl)phenyl]methyl]-N-[2-(1-benzofuran-3-yl)ethyl]pentan-1-amine
CID 70323492
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
CID 117041671
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
3-[[3-[4-(3-aminopropyl)piperazin-1-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]chromen-4-one
CID 23850356
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
CID 130589983

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine (CID 104869951) is N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine is NCCN(Cc1ccccc1)Cc1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine?
The InChIKey is YFNJEWZCCHTCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-10-11-20(12-15-6-2-1-3-7-15)13-16-14-21-18-9-5-4-8-17(16)18/h1-9,14H,10-13,19H2.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine?
N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-ylmethyl)-N'-benzylethane-1,2-diamine is sourced from PubChem (CID 104869951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).