[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol

C12H19NO4 — CID 115229222

IUPAC[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
SMILESCOc1cc(CN(C)CO)cc(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-13(8-14)7-9-5-10(15-2)12(17-4)11(6-9)16-3/h5-6,14H,7-8H2,1-4H3
InChIKeyRIRQATFDKCGSGA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.09
Rot. Bonds6

About [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol

[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol (PubChem CID 115229222) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
PubChem CID115229222
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
SMILESCOc1cc(CN(C)CO)cc(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-13(8-14)7-9-5-10(15-2)12(17-4)11(6-9)16-3/h5-6,14H,7-8H2,1-4H3
InChIKeyRIRQATFDKCGSGA-UHFFFAOYSA-N
XLogP1.09
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 106602528
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-[3,3-bis(4-fluorophenyl)propyl]-N,N'-dimethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 602534
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862

Frequently Asked Questions

What is the IUPAC name of [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol?
The IUPAC name of [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol (CID 115229222) is [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol.
What is the SMILES notation for [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol?
The canonical SMILES for [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol is COc1cc(CN(C)CO)cc(OC)c1OC.
What is the InChIKey of [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol?
The InChIKey is RIRQATFDKCGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-13(8-14)7-9-5-10(15-2)12(17-4)11(6-9)16-3/h5-6,14H,7-8H2,1-4H3.
What are the key properties of [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol?
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol has a molecular weight of 241.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol is sourced from PubChem (CID 115229222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).