3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol

C13H21NO3 — CID 115121985

IUPAC3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
SMILESCOc1cc(C)c(C)cc1N(C)CC(O)CO
InChIInChI=1S/C13H21NO3/c1-9-5-12(13(17-4)6-10(9)2)14(3)7-11(16)8-15/h5-6,11,15-16H,7-8H2,1-4H3
InChIKeyNMMGPRMIDNOVOI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.10
Rot. Bonds5

About 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol

3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol (PubChem CID 115121985) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
PubChem CID115121985
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
SMILESCOc1cc(C)c(C)cc1N(C)CC(O)CO
InChIInChI=1S/C13H21NO3/c1-9-5-12(13(17-4)6-10(9)2)14(3)7-11(16)8-15/h5-6,11,15-16H,7-8H2,1-4H3
InChIKeyNMMGPRMIDNOVOI-UHFFFAOYSA-N
XLogP1.10
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
2-[(2-methoxy-N,4,5-trimethylanilino)methyl]butanenitrile
CID 115253639
3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
CID 115121983
3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
CID 115122058
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol?
The IUPAC name of 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol (CID 115121985) is 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol is COc1cc(C)c(C)cc1N(C)CC(O)CO.
What is the InChIKey of 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol?
The InChIKey is NMMGPRMIDNOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-5-12(13(17-4)6-10(9)2)14(3)7-11(16)8-15/h5-6,11,15-16H,7-8H2,1-4H3.
What are the key properties of 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol?
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol has a molecular weight of 239.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol is sourced from PubChem (CID 115121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).