ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium

C15H28NO2+ — CID 145360657

IUPACethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium
SMILESCC.Cc1ccc(OCC[N+](C)(C)CCO)cc1
InChIInChI=1S/C13H22NO2.C2H6/c1-12-4-6-13(7-5-12)16-11-9-14(2,3)8-10-15;1-2/h4-7,15H,8-11H2,1-3H3;1-2H3/q+1;
InChIKeyNGSWIPUKSZNHDL-UHFFFAOYSA-N
MW254.39 g/mol
LogP2.47
Rot. Bonds6

About ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium

ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium (PubChem CID 145360657) has the molecular formula C15H28NO2+ and a molecular weight of 254.39 g/mol. Its IUPAC name is ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium.

Molecular Properties

Compound Nameethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium
PubChem CID145360657
Molecular FormulaC15H28NO2+
Molecular Weight254.39 g/mol
Exact Mass254.21
IUPAC Nameethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium
SMILESCC.Cc1ccc(OCC[N+](C)(C)CCO)cc1
InChIInChI=1S/C13H22NO2.C2H6/c1-12-4-6-13(7-5-12)16-11-9-14(2,3)8-10-15;1-2/h4-7,15H,8-11H2,1-3H3;1-2H3/q+1;
InChIKeyNGSWIPUKSZNHDL-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(4-methylphenoxy)undecan-1-ol
CID 67541960
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium?
The IUPAC name of ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium (CID 145360657) is ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium.
What is the SMILES notation for ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium?
The canonical SMILES for ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium is CC.Cc1ccc(OCC[N+](C)(C)CCO)cc1.
What is the InChIKey of ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium?
The InChIKey is NGSWIPUKSZNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2.C2H6/c1-12-4-6-13(7-5-12)16-11-9-14(2,3)8-10-15;1-2/h4-7,15H,8-11H2,1-3H3;1-2H3/q+1;.
What are the key properties of ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium?
ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium has a molecular weight of 254.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxyethyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium is sourced from PubChem (CID 145360657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).