1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

C14H23NO5 — CID 104560220

IUPAC1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO5/c1-17-6-7-18-8-9-19-10-12(16)11-20-14-5-3-2-4-13(14)15/h2-5,12,16H,6-11,15H2,1H3
InChIKeySLJHQPSAYNSSQN-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.69
Rot. Bonds11

About 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (PubChem CID 104560220) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
PubChem CID104560220
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO5/c1-17-6-7-18-8-9-19-10-12(16)11-20-14-5-3-2-4-13(14)15/h2-5,12,16H,6-11,15H2,1H3
InChIKeySLJHQPSAYNSSQN-UHFFFAOYSA-N
XLogP0.69
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (CID 104560220) is 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is COCCOCCOCC(O)COc1ccccc1N.
What is the InChIKey of 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The InChIKey is SLJHQPSAYNSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-17-6-7-18-8-9-19-10-12(16)11-20-14-5-3-2-4-13(14)15/h2-5,12,16H,6-11,15H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol has a molecular weight of 285.34 g/mol, XLogP of 0.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 104560220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).