1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol

C12H19NO4 — CID 62269537

IUPAC1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C12H19NO4/c1-15-5-6-16-8-11(14)9-17-12-4-2-3-10(13)7-12/h2-4,7,11,14H,5-6,8-9,13H2,1H3
InChIKeyQCYRVWNYZARAIX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.67
Rot. Bonds8

About 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol

1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 62269537) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID62269537
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C12H19NO4/c1-15-5-6-16-8-11(14)9-17-12-4-2-3-10(13)7-12/h2-4,7,11,14H,5-6,8-9,13H2,1H3
InChIKeyQCYRVWNYZARAIX-UHFFFAOYSA-N
XLogP0.67
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenoxy)-3-(2-methoxyethoxy)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

1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
3-[(2S)-2-hydroxy-3-methoxypropoxy]benzoic acid
CID 93020031
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol (CID 62269537) is 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is QCYRVWNYZARAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-5-6-16-8-11(14)9-17-12-4-2-3-10(13)7-12/h2-4,7,11,14H,5-6,8-9,13H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol?
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 62269537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).