N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine

C13H22N2O — CID 115227089

IUPACN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H22N2O/c1-10-6-12(8-15(4)9-14-3)7-11(2)13(10)16-5/h6-7,14H,8-9H2,1-5H3
InChIKeyPNGAUSBYSJOGFZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds5

About N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine (PubChem CID 115227089) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
PubChem CID115227089
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H22N2O/c1-10-6-12(8-15(4)9-14-3)7-11(2)13(10)16-5/h6-7,14H,8-9H2,1-5H3
InChIKeyPNGAUSBYSJOGFZ-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
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 N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-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

N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]-N-methylethanamine
CID 83068822
N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843594
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
CID 71397696
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine (CID 115227089) is N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine is CNCN(C)Cc1cc(C)c(OC)c(C)c1.
What is the InChIKey of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine?
The InChIKey is PNGAUSBYSJOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-12(8-15(4)9-14-3)7-11(2)13(10)16-5/h6-7,14H,8-9H2,1-5H3.
What are the key properties of N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine?
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine has a molecular weight of 222.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115227089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).