N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine

C11H20N2O2 — CID 81067939

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cc(CN)co1
InChIInChI=1S/C11H20N2O2/c1-3-14-5-4-13(2)8-11-6-10(7-12)9-15-11/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyYDACJGINVVJYLK-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.21
Rot. Bonds7

About N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine

N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine (PubChem CID 81067939) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
PubChem CID81067939
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cc(CN)co1
InChIInChI=1S/C11H20N2O2/c1-3-14-5-4-13(2)8-11-6-10(7-12)9-15-11/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyYDACJGINVVJYLK-UHFFFAOYSA-N
XLogP1.21
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine 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

[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 113325033
N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437052
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 62412264
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
CID 81055776
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine (CID 81067939) is N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)Cc1cc(CN)co1.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is YDACJGINVVJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-14-5-4-13(2)8-11-6-10(7-12)9-15-11/h6,9H,3-5,7-8,12H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine?
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 212.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 81067939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).