1-(2-amino-3-phenylpropoxy)ethenol

C11H15NO2 — CID 91268849

IUPAC1-(2-amino-3-phenylpropoxy)ethenol
SMILESC=C(O)OCC(N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-6,11,13H,1,7-8,12H2
InChIKeyNREIOGUMTNGPJC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.60
Rot. Bonds5

About 1-(2-amino-3-phenylpropoxy)ethenol

1-(2-amino-3-phenylpropoxy)ethenol (PubChem CID 91268849) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropoxy)ethenol.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropoxy)ethenol
PubChem CID91268849
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-amino-3-phenylpropoxy)ethenol
SMILESC=C(O)OCC(N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-6,11,13H,1,7-8,12H2
InChIKeyNREIOGUMTNGPJC-UHFFFAOYSA-N
XLogP1.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
ethene;1-(3-iminoprop-1-en-2-yloxy)-3-phenylpropan-2-amine
CID 143103087
(5S)-6-phenylhex-1-ene-2,5-diamine
CID 146226437
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
ethene;3-phenylpropane-1,2-diamine
CID 175295695

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropoxy)ethenol?
The IUPAC name of 1-(2-amino-3-phenylpropoxy)ethenol (CID 91268849) is 1-(2-amino-3-phenylpropoxy)ethenol.
What is the SMILES notation for 1-(2-amino-3-phenylpropoxy)ethenol?
The canonical SMILES for 1-(2-amino-3-phenylpropoxy)ethenol is C=C(O)OCC(N)Cc1ccccc1.
What is the InChIKey of 1-(2-amino-3-phenylpropoxy)ethenol?
The InChIKey is NREIOGUMTNGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-6,11,13H,1,7-8,12H2.
What are the key properties of 1-(2-amino-3-phenylpropoxy)ethenol?
1-(2-amino-3-phenylpropoxy)ethenol has a molecular weight of 193.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropoxy)ethenol is sourced from PubChem (CID 91268849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).