N-benzyl-2-(2-methoxyethoxy)ethanamine

C12H19NO2 — CID 23009185

IUPACN-benzyl-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-14-9-10-15-8-7-13-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyZDYHIUOGBVMZLL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds8

About N-benzyl-2-(2-methoxyethoxy)ethanamine

N-benzyl-2-(2-methoxyethoxy)ethanamine (PubChem CID 23009185) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxyethoxy)ethanamine
PubChem CID23009185
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-benzyl-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-14-9-10-15-8-7-13-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyZDYHIUOGBVMZLL-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2-methoxyethoxy)ethanamine (CID 23009185) is N-benzyl-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-methoxyethoxy)ethanamine?
The InChIKey is ZDYHIUOGBVMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-9-10-15-8-7-13-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of N-benzyl-2-(2-methoxyethoxy)ethanamine?
N-benzyl-2-(2-methoxyethoxy)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 23009185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).