1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

C13H19NO2 — CID 650108

IUPAC1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNC
InChIInChI=1S/C13H19NO2/c1-3-6-11-7-4-5-8-13(11)16-10-12(15)9-14-2/h3-5,7-8,12,14-15H,1,6,9-10H2,2H3
InChIKeyDTFPUFZXVSZQHE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.37
Rot. Bonds7

About 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 650108) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID650108
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNC
InChIInChI=1S/C13H19NO2/c1-3-6-11-7-4-5-8-13(11)16-10-12(15)9-14-2/h3-5,7-8,12,14-15H,1,6,9-10H2,2H3
InChIKeyDTFPUFZXVSZQHE-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 650108) is 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CNC.
What is the InChIKey of 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is DTFPUFZXVSZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-6-11-7-4-5-8-13(11)16-10-12(15)9-14-2/h3-5,7-8,12,14-15H,1,6,9-10H2,2H3.
What are the key properties of 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 650108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).