2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium

C12H20NO2+ — CID 2262147

IUPAC2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
SMILESCc1ccc(C)c(OCC[NH2+]CCO)c1
InChIInChI=1S/C12H19NO2/c1-10-3-4-11(2)12(9-10)15-8-6-13-5-7-14/h3-4,9,13-14H,5-8H2,1-2H3/p+1
InChIKeyAQRGVCWYSFSTEM-UHFFFAOYSA-O
MW210.30 g/mol
LogP0.24
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium

2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium (PubChem CID 2262147) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
PubChem CID2262147
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
SMILESCc1ccc(C)c(OCC[NH2+]CCO)c1
InChIInChI=1S/C12H19NO2/c1-10-3-4-11(2)12(9-10)15-8-6-13-5-7-14/h3-4,9,13-14H,5-8H2,1-2H3/p+1
InChIKeyAQRGVCWYSFSTEM-UHFFFAOYSA-O
XLogP0.24
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
1,4-dimethyl-2-pentoxybenzene
CID 59184214
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium?
The IUPAC name of 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium (CID 2262147) is 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium is Cc1ccc(C)c(OCC[NH2+]CCO)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium?
The InChIKey is AQRGVCWYSFSTEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NO2/c1-10-3-4-11(2)12(9-10)15-8-6-13-5-7-14/h3-4,9,13-14H,5-8H2,1-2H3/p+1.
What are the key properties of 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium?
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium has a molecular weight of 210.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 2262147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).