(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol

C12H19NO2 — CID 116954672

IUPAC(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-7-6-10(12(14)13-4)8(2)9(3)11(7)15-5/h6,12-14H,1-5H3
InChIKeyLBYRUOZIWAIFIE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds3

About (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol

(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol (PubChem CID 116954672) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
PubChem CID116954672
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-7-6-10(12(14)13-4)8(2)9(3)11(7)15-5/h6,12-14H,1-5H3
InChIKeyLBYRUOZIWAIFIE-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
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

1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
(E)-4-(4-methoxy-2,3,5-trimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956328
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
2-(4-methoxy-2,3,5-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116848105
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol?
The IUPAC name of (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol (CID 116954672) is (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol.
What is the SMILES notation for (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol?
The canonical SMILES for (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol is CNC(O)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol?
The InChIKey is LBYRUOZIWAIFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-6-10(12(14)13-4)8(2)9(3)11(7)15-5/h6,12-14H,1-5H3.
What are the key properties of (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol?
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).