2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol

C13H22N2O3 — CID 114243002

IUPAC2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
SMILESCN(CCOCCO)CCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3/c1-15(6-9-17-11-8-16)7-10-18-13-4-2-12(14)3-5-13/h2-5,16H,6-11,14H2,1H3
InChIKeyRQVKPTLYGDJATM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.59
Rot. Bonds9

About 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol

2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol (PubChem CID 114243002) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
PubChem CID114243002
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
SMILESCN(CCOCCO)CCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3/c1-15(6-9-17-11-8-16)7-10-18-13-4-2-12(14)3-5-13/h2-5,16H,6-11,14H2,1H3
InChIKeyRQVKPTLYGDJATM-UHFFFAOYSA-N
XLogP0.59
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 114948475
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol (CID 114243002) is 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol is CN(CCOCCO)CCOc1ccc(N)cc1.
What is the InChIKey of 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol?
The InChIKey is RQVKPTLYGDJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(6-9-17-11-8-16)7-10-18-13-4-2-12(14)3-5-13/h2-5,16H,6-11,14H2,1H3.
What are the key properties of 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol?
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol has a molecular weight of 254.33 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).