[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol

C13H21NO2 — CID 115229239

IUPAC[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
SMILESCOc1c(C)c(C)cc(C)c1CN(C)CO
InChIInChI=1S/C13H21NO2/c1-9-6-10(2)12(7-14(4)8-15)13(16-5)11(9)3/h6,15H,7-8H2,1-5H3
InChIKeyFVPHGJORKQPGAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds4

About [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol

[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol (PubChem CID 115229239) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
PubChem CID115229239
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
SMILESCOc1c(C)c(C)cc(C)c1CN(C)CO
InChIInChI=1S/C13H21NO2/c1-9-6-10(2)12(7-14(4)8-15)13(16-5)11(9)3/h6,15H,7-8H2,1-5H3
InChIKeyFVPHGJORKQPGAV-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199468
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol?
The IUPAC name of [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol (CID 115229239) is [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol?
The canonical SMILES for [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol is COc1c(C)c(C)cc(C)c1CN(C)CO.
What is the InChIKey of [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol?
The InChIKey is FVPHGJORKQPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-10(2)12(7-14(4)8-15)13(16-5)11(9)3/h6,15H,7-8H2,1-5H3.
What are the key properties of [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol?
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).