1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine

C11H18N2O2 — CID 116954299

IUPAC1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C11H18N2O2/c1-12-11(13-2)9-7-8(14-3)5-6-10(9)15-4/h5-7,11-13H,1-4H3
InChIKeyUNKLGDZQOMKUAC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.14
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine

1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954299) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954299
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C11H18N2O2/c1-12-11(13-2)9-7-8(14-3)5-6-10(9)15-4/h5-7,11-13H,1-4H3
InChIKeyUNKLGDZQOMKUAC-UHFFFAOYSA-N
XLogP1.14
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.14
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

(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
CID 79616097
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
1-(2,5-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053298
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine (CID 116954299) is 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine is CNC(NC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is UNKLGDZQOMKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-11(13-2)9-7-8(14-3)5-6-10(9)15-4/h5-7,11-13H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine?
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 210.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).