N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine

C13H24N2O2 — CID 112754632

IUPACN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
SMILESCCNCc1coc(CN(C)CC(C)OC)c1
InChIInChI=1S/C13H24N2O2/c1-5-14-7-12-6-13(17-10-12)9-15(3)8-11(2)16-4/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyAFLZRBIGKLAGFG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.86
Rot. Bonds8

About N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine

N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine (PubChem CID 112754632) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
PubChem CID112754632
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
SMILESCCNCc1coc(CN(C)CC(C)OC)c1
InChIInChI=1S/C13H24N2O2/c1-5-14-7-12-6-13(17-10-12)9-15(3)8-11(2)16-4/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyAFLZRBIGKLAGFG-UHFFFAOYSA-N
XLogP1.86
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine (CID 112754632) is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine is CCNCc1coc(CN(C)CC(C)OC)c1.
What is the InChIKey of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine?
The InChIKey is AFLZRBIGKLAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-14-7-12-6-13(17-10-12)9-15(3)8-11(2)16-4/h6,10-11,14H,5,7-9H2,1-4H3.
What are the key properties of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine?
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 112754632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).