2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol

C12H17NO3 — CID 23337701

IUPAC2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
SMILESC=CCOc1ccccc1OCC(N)CO
InChIInChI=1S/C12H17NO3/c1-2-7-15-11-5-3-4-6-12(11)16-9-10(13)8-14/h2-6,10,14H,1,7-9,13H2
InChIKeyOOMJGTFZAFREDW-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.95
Rot. Bonds7

About 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol

2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol (PubChem CID 23337701) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
PubChem CID23337701
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
SMILESC=CCOc1ccccc1OCC(N)CO
InChIInChI=1S/C12H17NO3/c1-2-7-15-11-5-3-4-6-12(11)16-9-10(13)8-14/h2-6,10,14H,1,7-9,13H2
InChIKeyOOMJGTFZAFREDW-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
(2-prop-2-enoxyphenyl)methanol
CID 11137475
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
CID 112512175
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
CID 54342981
CID 54342981
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
2-[3-[[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]amino]propyl]guanidine
CID 110181612

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol?
The IUPAC name of 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol (CID 23337701) is 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol is C=CCOc1ccccc1OCC(N)CO.
What is the InChIKey of 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol?
The InChIKey is OOMJGTFZAFREDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-7-15-11-5-3-4-6-12(11)16-9-10(13)8-14/h2-6,10,14H,1,7-9,13H2.
What are the key properties of 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol?
2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol has a molecular weight of 223.27 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol is sourced from PubChem (CID 23337701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).