3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol

C14H23NO5 — CID 66186467

IUPAC3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(OCC(O)CNCC(C)(O)CO)cc1
InChIInChI=1S/C14H23NO5/c1-14(18,10-16)9-15-7-11(17)8-20-13-5-3-12(19-2)4-6-13/h3-6,11,15-18H,7-10H2,1-2H3
InChIKeyNEQAYTGGILJIKU-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.23
Rot. Bonds9

About 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol

3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol (PubChem CID 66186467) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
PubChem CID66186467
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(OCC(O)CNCC(C)(O)CO)cc1
InChIInChI=1S/C14H23NO5/c1-14(18,10-16)9-15-7-11(17)8-20-13-5-3-12(19-2)4-6-13/h3-6,11,15-18H,7-10H2,1-2H3
InChIKeyNEQAYTGGILJIKU-UHFFFAOYSA-N
XLogP-0.23
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-2-hydroxypropoxy]benzonitrile
CID 66187163
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
4-[2-hydroxy-3-[(2-hydroxy-2-methylbutyl)amino]propoxy]benzonitrile
CID 65106102
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol (CID 66186467) is 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol is COc1ccc(OCC(O)CNCC(C)(O)CO)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is NEQAYTGGILJIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-14(18,10-16)9-15-7-11(17)8-20-13-5-3-12(19-2)4-6-13/h3-6,11,15-18H,7-10H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol?
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 285.34 g/mol, XLogP of -0.23, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66186467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).