2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol

C12H17NO3 — CID 66510838

IUPAC2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
SMILESC=CCOCc1cc(N)ccc1OCCO
InChIInChI=1S/C12H17NO3/c1-2-6-15-9-10-8-11(13)3-4-12(10)16-7-5-14/h2-4,8,14H,1,5-7,9,13H2
InChIKeyMNGWSFCHPFLUOB-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.34
Rot. Bonds7

About 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol

2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol (PubChem CID 66510838) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
PubChem CID66510838
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
SMILESC=CCOCc1cc(N)ccc1OCCO
InChIInChI=1S/C12H17NO3/c1-2-6-15-9-10-8-11(13)3-4-12(10)16-7-5-14/h2-4,8,14H,1,5-7,9,13H2
InChIKeyMNGWSFCHPFLUOB-UHFFFAOYSA-N
XLogP1.34
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol?
The IUPAC name of 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol (CID 66510838) is 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol is C=CCOCc1cc(N)ccc1OCCO.
What is the InChIKey of 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol?
The InChIKey is MNGWSFCHPFLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-6-15-9-10-8-11(13)3-4-12(10)16-7-5-14/h2-4,8,14H,1,5-7,9,13H2.
What are the key properties of 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol?
2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol has a molecular weight of 223.27 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol is sourced from PubChem (CID 66510838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).