1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol

C15H25NO4 — CID 65111868

IUPAC1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H25NO4/c1-4-15(2,18)11-16-9-12(17)10-20-14-7-5-6-13(8-14)19-3/h5-8,12,16-18H,4,9-11H2,1-3H3
InChIKeyKDIHQSBAXAZQGB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.19
Rot. Bonds9

About 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol

1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol (PubChem CID 65111868) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
PubChem CID65111868
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H25NO4/c1-4-15(2,18)11-16-9-12(17)10-20-14-7-5-6-13(8-14)19-3/h5-8,12,16-18H,4,9-11H2,1-3H3
InChIKeyKDIHQSBAXAZQGB-UHFFFAOYSA-N
XLogP1.19
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol with MolForge

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Related Compounds

3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylbutan-2-ol
CID 65106826
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
4-[2-hydroxy-3-[(2-hydroxy-2-methylbutyl)amino]propoxy]benzonitrile
CID 65106102
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669
1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247000
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol (CID 65111868) is 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol is CCC(C)(O)CNCC(O)COc1cccc(OC)c1.
What is the InChIKey of 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol?
The InChIKey is KDIHQSBAXAZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-15(2,18)11-16-9-12(17)10-20-14-7-5-6-13(8-14)19-3/h5-8,12,16-18H,4,9-11H2,1-3H3.
What are the key properties of 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol?
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65111868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).