[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol

C12H19NO3 — CID 115229170

IUPAC[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
SMILESCOc1cc(C)c(CN(C)CO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9-5-11(15-3)12(16-4)6-10(9)7-13(2)8-14/h5-6,14H,7-8H2,1-4H3
InChIKeyWIOYUVNBAGMEFN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.39
Rot. Bonds5

About [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol

[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol (PubChem CID 115229170) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
PubChem CID115229170
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
SMILESCOc1cc(C)c(CN(C)CO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9-5-11(15-3)12(16-4)6-10(9)7-13(2)8-14/h5-6,14H,7-8H2,1-4H3
InChIKeyWIOYUVNBAGMEFN-UHFFFAOYSA-N
XLogP1.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987
[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
CID 115229229
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669

Frequently Asked Questions

What is the IUPAC name of [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol?
The IUPAC name of [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol (CID 115229170) is [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol?
The canonical SMILES for [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol is COc1cc(C)c(CN(C)CO)cc1OC.
What is the InChIKey of [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol?
The InChIKey is WIOYUVNBAGMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-5-11(15-3)12(16-4)6-10(9)7-13(2)8-14/h5-6,14H,7-8H2,1-4H3.
What are the key properties of [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol?
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).