2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol

C13H21NO3 — CID 78937234

IUPAC2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
SMILESCC[C@H](N)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-2-13(14)11-3-5-12(6-4-11)17-10-9-16-8-7-15/h3-6,13,15H,2,7-10,14H2,1H3/t13-/m0/s1
InChIKeyWEELIBQFFKRAPJ-ZDUSSCGKSA-N
MW239.31 g/mol
LogP1.48
Rot. Bonds8

About 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol

2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol (PubChem CID 78937234) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
PubChem CID78937234
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
SMILESCC[C@H](N)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-2-13(14)11-3-5-12(6-4-11)17-10-9-16-8-7-15/h3-6,13,15H,2,7-10,14H2,1H3/t13-/m0/s1
InChIKeyWEELIBQFFKRAPJ-ZDUSSCGKSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101082201

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol (CID 78937234) is 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol is CC[C@H](N)c1ccc(OCCOCCO)cc1.
What is the InChIKey of 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol?
The InChIKey is WEELIBQFFKRAPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-13(14)11-3-5-12(6-4-11)17-10-9-16-8-7-15/h3-6,13,15H,2,7-10,14H2,1H3/t13-/m0/s1.
What are the key properties of 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol?
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 78937234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).