1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine

C12H20N2O — CID 116909202

IUPAC1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C12H20N2O/c1-9-6-7-11(15-5)10(8-9)12(13-2)14(3)4/h6-8,12-13H,1-5H3
InChIKeyQBKFWSZVTWJHQJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine

1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine (PubChem CID 116909202) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
PubChem CID116909202
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1cc(C)ccc1OC)N(C)C
InChIInChI=1S/C12H20N2O/c1-9-6-7-11(15-5)10(8-9)12(13-2)14(3)4/h6-8,12-13H,1-5H3
InChIKeyQBKFWSZVTWJHQJ-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine 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-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230
1-hydrazinyl-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 116961705
1-(2-methoxy-5-methylphenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957172
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005245
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine (CID 116909202) is 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine is CNC(c1cc(C)ccc1OC)N(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine?
The InChIKey is QBKFWSZVTWJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-6-7-11(15-5)10(8-9)12(13-2)14(3)4/h6-8,12-13H,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine?
1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine has a molecular weight of 208.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine is sourced from PubChem (CID 116909202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).