2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol

C13H21NO4 — CID 112683473

IUPAC2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1cc(OC)c(OC)cc1CN(C)CCO
InChIInChI=1S/C13H21NO4/c1-14(5-6-15)9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,15H,5-6,9H2,1-4H3
InChIKeyGGQNSWNNFRYRJS-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.14
Rot. Bonds7

About 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol

2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol (PubChem CID 112683473) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
PubChem CID112683473
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1cc(OC)c(OC)cc1CN(C)CCO
InChIInChI=1S/C13H21NO4/c1-14(5-6-15)9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,15H,5-6,9H2,1-4H3
InChIKeyGGQNSWNNFRYRJS-UHFFFAOYSA-N
XLogP1.14
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
3-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 54970322
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]butan-2-one
CID 115235800
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
methyl 4-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]butanoate
CID 62013666
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol (CID 112683473) is 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol is COc1cc(OC)c(OC)cc1CN(C)CCO.
What is the InChIKey of 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The InChIKey is GGQNSWNNFRYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-14(5-6-15)9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol?
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol has a molecular weight of 255.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 112683473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).