N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C13H23NO3 — CID 106450221

IUPACN-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOCCNCc1ccoc1
InChIInChI=1S/C13H23NO3/c1-12(2)10-17-8-7-15-6-4-14-9-13-3-5-16-11-13/h3,5,11-12,14H,4,6-10H2,1-2H3
InChIKeyPSMHATKJPZIWES-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.06
Rot. Bonds10

About N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106450221) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106450221
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOCCNCc1ccoc1
InChIInChI=1S/C13H23NO3/c1-12(2)10-17-8-7-15-6-4-14-9-13-3-5-16-11-13/h3,5,11-12,14H,4,6-10H2,1-2H3
InChIKeyPSMHATKJPZIWES-UHFFFAOYSA-N
XLogP2.06
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
CID 79114939
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4-[[2-(2-methylpropoxy)ethylamino]methyl]benzene-1,2-diol
CID 113224468
1-(furan-3-yl)-N-propan-2-yloxymethanamine
CID 131223098
2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62572477

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106450221) is N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CC(C)COCCOCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is PSMHATKJPZIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)10-17-8-7-15-6-4-14-9-13-3-5-16-11-13/h3,5,11-12,14H,4,6-10H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106450221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).