1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol

C13H21NO3 — CID 112501230

IUPAC1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-13(15,9-14-2)8-10-5-6-11(16-3)7-12(10)17-4/h5-7,14-15H,8-9H2,1-4H3
InChIKeyPPGDIVKLOLWPPI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.22
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol

1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol (PubChem CID 112501230) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
PubChem CID112501230
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
SMILESCNCC(C)(O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-13(15,9-14-2)8-10-5-6-11(16-3)7-12(10)17-4/h5-7,14-15H,8-9H2,1-4H3
InChIKeyPPGDIVKLOLWPPI-UHFFFAOYSA-N
XLogP1.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664588
(3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methylbutanal
CID 11447772
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol (CID 112501230) is 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol is CNCC(C)(O)Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol?
The InChIKey is PPGDIVKLOLWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(15,9-14-2)8-10-5-6-11(16-3)7-12(10)17-4/h5-7,14-15H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol?
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 112501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).