2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol

C15H25NO4 — CID 69119374

IUPAC2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)(C)CO)c1
InChIInChI=1S/C15H25NO4/c1-10(16-15(2,3)9-17)14(18)12-8-11(19-4)6-7-13(12)20-5/h6-8,10,14,16-18H,9H2,1-5H3
InChIKeyVKNYHUHXSYCFBT-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.49
Rot. Bonds7

About 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol

2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 69119374) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
PubChem CID69119374
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)(C)CO)c1
InChIInChI=1S/C15H25NO4/c1-10(16-15(2,3)9-17)14(18)12-8-11(19-4)6-7-13(12)20-5/h6-8,10,14,16-18H,9H2,1-5H3
InChIKeyVKNYHUHXSYCFBT-UHFFFAOYSA-N
XLogP1.49
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 112500804
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol (CID 69119374) is 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol is COc1ccc(OC)c(C(O)C(C)NC(C)(C)CO)c1.
What is the InChIKey of 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is VKNYHUHXSYCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(16-15(2,3)9-17)14(18)12-8-11(19-4)6-7-13(12)20-5/h6-8,10,14,16-18H,9H2,1-5H3.
What are the key properties of 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 69119374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).