2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol

C12H19NO3 — CID 63367420

IUPAC2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
SMILESC[C@H](N)c1cccc(OCCOCCO)c1
InChIInChI=1S/C12H19NO3/c1-10(13)11-3-2-4-12(9-11)16-8-7-15-6-5-14/h2-4,9-10,14H,5-8,13H2,1H3/t10-/m0/s1
InChIKeyQTAGUMZBIYDJPH-JTQLQIEISA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol

2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol (PubChem CID 63367420) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
PubChem CID63367420
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
SMILESC[C@H](N)c1cccc(OCCOCCO)c1
InChIInChI=1S/C12H19NO3/c1-10(13)11-3-2-4-12(9-11)16-8-7-15-6-5-14/h2-4,9-10,14H,5-8,13H2,1H3/t10-/m0/s1
InChIKeyQTAGUMZBIYDJPH-JTQLQIEISA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
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-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
CID 173046953
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
6-[2-[2-[6-[3-[(1R)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]hexanoic acid;hydrochloride
CID 164592528
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
methyl 4-[2-[2-[6-[3-[(1S)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]butanoate
CID 164593088
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol (CID 63367420) is 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol is C[C@H](N)c1cccc(OCCOCCO)c1.
What is the InChIKey of 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol?
The InChIKey is QTAGUMZBIYDJPH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(13)11-3-2-4-12(9-11)16-8-7-15-6-5-14/h2-4,9-10,14H,5-8,13H2,1H3/t10-/m0/s1.
What are the key properties of 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol?
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 63367420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).