1-[3-(2-aminoethoxy)phenoxy]propan-2-ol

C11H17NO3 — CID 71018405

IUPAC1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
SMILESCC(O)COc1cccc(OCCN)c1
InChIInChI=1S/C11H17NO3/c1-9(13)8-15-11-4-2-3-10(7-11)14-6-5-12/h2-4,7,9,13H,5-6,8,12H2,1H3
InChIKeyPUQRFBHPUDKNIH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.78
Rot. Bonds6

About 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol

1-[3-(2-aminoethoxy)phenoxy]propan-2-ol (PubChem CID 71018405) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
PubChem CID71018405
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
SMILESCC(O)COc1cccc(OCCN)c1
InChIInChI=1S/C11H17NO3/c1-9(13)8-15-11-4-2-3-10(7-11)14-6-5-12/h2-4,7,9,13H,5-6,8,12H2,1H3
InChIKeyPUQRFBHPUDKNIH-UHFFFAOYSA-N
XLogP0.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
ethane;1-phenoxypropan-2-ol
CID 90926921
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
3-methyl-1-(3-propoxyphenoxy)butan-2-ol
CID 69097462
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol (CID 71018405) is 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol is CC(O)COc1cccc(OCCN)c1.
What is the InChIKey of 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol?
The InChIKey is PUQRFBHPUDKNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(13)8-15-11-4-2-3-10(7-11)14-6-5-12/h2-4,7,9,13H,5-6,8,12H2,1H3.
What are the key properties of 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol?
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 71018405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).