1-(3-aminophenoxy)-3-ethoxypropan-2-ol

C11H17NO3 — CID 10680007

IUPAC1-(3-aminophenoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C11H17NO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10,13H,2,7-8,12H2,1H3
InChIKeyPEZWZMMVBWFYLL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.04
Rot. Bonds6

About 1-(3-aminophenoxy)-3-ethoxypropan-2-ol

1-(3-aminophenoxy)-3-ethoxypropan-2-ol (PubChem CID 10680007) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-ethoxypropan-2-ol
PubChem CID10680007
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3-aminophenoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C11H17NO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10,13H,2,7-8,12H2,1H3
InChIKeyPEZWZMMVBWFYLL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123
1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
3-(2,2-diethoxyethoxy)aniline
CID 81089807
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
1-(3-aminophenoxy)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 43364505
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-ethoxypropan-2-ol (CID 10680007) is 1-(3-aminophenoxy)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-ethoxypropan-2-ol is CCOCC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-ethoxypropan-2-ol?
The InChIKey is PEZWZMMVBWFYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10,13H,2,7-8,12H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-ethoxypropan-2-ol?
1-(3-aminophenoxy)-3-ethoxypropan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-ethoxypropan-2-ol is sourced from PubChem (CID 10680007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).