potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine

C14H22KNO3 — CID 155740318

IUPACpotassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine
SMILESCOCCOCCOCCNCc1cc[c-]cc1.[K+]
InChIInChI=1S/C14H22NO3.K/c1-16-9-10-18-12-11-17-8-7-15-13-14-5-3-2-4-6-14;/h3-6,15H,7-13H2,1H3;/q-1;+1
InChIKeyBUBGHOVHGOWORV-UHFFFAOYSA-N
MW291.43 g/mol
LogP-1.74
Rot. Bonds11

About potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine

potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine (PubChem CID 155740318) has the molecular formula C14H22KNO3 and a molecular weight of 291.43 g/mol. Its IUPAC name is potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine.

Molecular Properties

Compound Namepotassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine
PubChem CID155740318
Molecular FormulaC14H22KNO3
Molecular Weight291.43 g/mol
Exact Mass291.12
IUPAC Namepotassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine
SMILESCOCCOCCOCCNCc1cc[c-]cc1.[K+]
InChIInChI=1S/C14H22NO3.K/c1-16-9-10-18-12-11-17-8-7-15-13-14-5-3-2-4-6-14;/h3-6,15H,7-13H2,1H3;/q-1;+1
InChIKeyBUBGHOVHGOWORV-UHFFFAOYSA-N
XLogP-1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine?
The IUPAC name of potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine (CID 155740318) is potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine.
What is the SMILES notation for potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine?
The canonical SMILES for potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine is COCCOCCOCCNCc1cc[c-]cc1.[K+].
What is the InChIKey of potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine?
The InChIKey is BUBGHOVHGOWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO3.K/c1-16-9-10-18-12-11-17-8-7-15-13-14-5-3-2-4-6-14;/h3-6,15H,7-13H2,1H3;/q-1;+1.
What are the key properties of potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine?
potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine has a molecular weight of 291.43 g/mol, XLogP of -1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(2-methoxyethoxy)ethoxy]-N-(phenylmethyl)ethanamine is sourced from PubChem (CID 155740318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).