1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine

C12H20N2O — CID 116954340

IUPAC1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCCOc1ccc(C(NC)NC)cc1C
InChIInChI=1S/C12H20N2O/c1-5-15-11-7-6-10(8-9(11)2)12(13-3)14-4/h6-8,12-14H,5H2,1-4H3
InChIKeyPGXHILZHKGFTRH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine

1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954340) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954340
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCCOc1ccc(C(NC)NC)cc1C
InChIInChI=1S/C12H20N2O/c1-5-15-11-7-6-10(8-9(11)2)12(13-3)14-4/h6-8,12-14H,5H2,1-4H3
InChIKeyPGXHILZHKGFTRH-UHFFFAOYSA-N
XLogP1.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
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'}

Analyze 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine 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-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024
2-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960687
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958669

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine (CID 116954340) is 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine is CCOc1ccc(C(NC)NC)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is PGXHILZHKGFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-15-11-7-6-10(8-9(11)2)12(13-3)14-4/h6-8,12-14H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine?
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 208.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).