1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol

C12H19NO2 — CID 112608228

IUPAC1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1cccc(C)c1OCC(C)O
InChIInChI=1S/C12H19NO2/c1-9-5-4-6-11(7-13-3)12(9)15-8-10(2)14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyITWYWEVDBAGSSW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds5

About 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol

1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 112608228) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID112608228
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1cccc(C)c1OCC(C)O
InChIInChI=1S/C12H19NO2/c1-9-5-4-6-11(7-13-3)12(9)15-8-10(2)14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyITWYWEVDBAGSSW-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
CID 106722446
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol (CID 112608228) is 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol is CNCc1cccc(C)c1OCC(C)O.
What is the InChIKey of 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is ITWYWEVDBAGSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-5-4-6-11(7-13-3)12(9)15-8-10(2)14/h4-6,10,13-14H,7-8H2,1-3H3.
What are the key properties of 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol?
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 112608228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).