N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

C13H23NO2 — CID 62446188

IUPACN-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C13H23NO2/c1-6-15-9-12-7-11(10(2)16-12)8-14-13(3,4)5/h7,14H,6,8-9H2,1-5H3
InChIKeyGGOYUUKUEDZGAQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.01
Rot. Bonds5

About N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62446188) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62446188
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C13H23NO2/c1-6-15-9-12-7-11(10(2)16-12)8-14-13(3,4)5/h7,14H,6,8-9H2,1-5H3
InChIKeyGGOYUUKUEDZGAQ-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 82005396
2-methyl-N-[[2-methyl-5-(oxetan-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 102608122
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (CID 62446188) is N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is CCOCc1cc(CNC(C)(C)C)c(C)o1.
What is the InChIKey of N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GGOYUUKUEDZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-15-9-12-7-11(10(2)16-12)8-14-13(3,4)5/h7,14H,6,8-9H2,1-5H3.
What are the key properties of N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 225.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62446188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).