3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol

C13H21NO4 — CID 64811025

IUPAC3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO4/c1-13(8-15,14-2)9-18-12-6-10(16-3)5-11(7-12)17-4/h5-7,14-15H,8-9H2,1-4H3
InChIKeySVSLFCDDRSQQGR-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.05
Rot. Bonds7

About 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol

3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64811025) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64811025
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO4/c1-13(8-15,14-2)9-18-12-6-10(16-3)5-11(7-12)17-4/h5-7,14-15H,8-9H2,1-4H3
InChIKeySVSLFCDDRSQQGR-UHFFFAOYSA-N
XLogP1.05
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
CID 60878602
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 64549744
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194
2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
CID 135039830
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
CID 59527538

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol (CID 64811025) is 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is SVSLFCDDRSQQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(8-15,14-2)9-18-12-6-10(16-3)5-11(7-12)17-4/h5-7,14-15H,8-9H2,1-4H3.
What are the key properties of 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64811025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).