1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol

C16H27NO5 — CID 23471085

IUPAC1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)CO
InChIInChI=1S/C16H27NO5/c1-13(10-18)17-9-15(19)12-22-16-6-4-3-5-14(16)11-21-8-7-20-2/h3-6,13,15,17-19H,7-12H2,1-2H3
InChIKeyINFWJLCSWISRNF-UHFFFAOYSA-N
MW313.39 g/mol
LogP0.56
Rot. Bonds12

About 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol

1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol (PubChem CID 23471085) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
PubChem CID23471085
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)CO
InChIInChI=1S/C16H27NO5/c1-13(10-18)17-9-15(19)12-22-16-6-4-3-5-14(16)11-21-8-7-20-2/h3-6,13,15,17-19H,7-12H2,1-2H3
InChIKeyINFWJLCSWISRNF-UHFFFAOYSA-N
XLogP0.56
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471032
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 23471045
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471094
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
CID 125487724
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol (CID 23471085) is 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol is COCCOCc1ccccc1OCC(O)CNC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The InChIKey is INFWJLCSWISRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-13(10-18)17-9-15(19)12-22-16-6-4-3-5-14(16)11-21-8-7-20-2/h3-6,13,15,17-19H,7-12H2,1-2H3.
What are the key properties of 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol has a molecular weight of 313.39 g/mol, XLogP of 0.56, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 23471085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).