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

C15H25NO4 — CID 106989841

IUPAC1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCCCOc1ccccc1
InChIInChI=1S/C15H25NO4/c1-18-10-11-19-13-14(17)12-16-8-5-9-20-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13H2,1H3
InChIKeyNHYXJSNPBCTNDD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds12

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

1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol (PubChem CID 106989841) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
PubChem CID106989841
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCCCOc1ccccc1
InChIInChI=1S/C15H25NO4/c1-18-10-11-19-13-14(17)12-16-8-5-9-20-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13H2,1H3
InChIKeyNHYXJSNPBCTNDD-UHFFFAOYSA-N
XLogP1.07
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol (CID 106989841) is 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol is COCCOCC(O)CNCCCOc1ccccc1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol?
The InChIKey is NHYXJSNPBCTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-18-10-11-19-13-14(17)12-16-8-5-9-20-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol is sourced from PubChem (CID 106989841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).