(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol

C12H19NO3 — CID 116954760

IUPAC(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-7-8(2)11(16-5)9(12(14)13-3)6-10(7)15-4/h6,12-14H,1-5H3
InChIKeyXRQNPHCYFHJKEX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.53
Rot. Bonds4

About (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol

(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol (PubChem CID 116954760) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
PubChem CID116954760
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C12H19NO3/c1-7-8(2)11(16-5)9(12(14)13-3)6-10(7)15-4/h6,12-14H,1-5H3
InChIKeyXRQNPHCYFHJKEX-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
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

(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 116855775
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol?
The IUPAC name of (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol (CID 116954760) is (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol.
What is the SMILES notation for (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol?
The canonical SMILES for (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol is CNC(O)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol?
The InChIKey is XRQNPHCYFHJKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-8(2)11(16-5)9(12(14)13-3)6-10(7)15-4/h6,12-14H,1-5H3.
What are the key properties of (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol?
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol has a molecular weight of 225.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).