1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine

C13H22N2O — CID 116909230

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1cc(C)c(OC)cc1C)N(C)C
InChIInChI=1S/C13H22N2O/c1-9-8-12(16-6)10(2)7-11(9)13(14-3)15(4)5/h7-8,13-14H,1-6H3
InChIKeyHSQYIKKQBPSQNW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.09
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine

1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine (PubChem CID 116909230) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
PubChem CID116909230
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1cc(C)c(OC)cc1C)N(C)C
InChIInChI=1S/C13H22N2O/c1-9-8-12(16-6)10(2)7-11(9)13(14-3)15(4)5/h7-8,13-14H,1-6H3
InChIKeyHSQYIKKQBPSQNW-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909202
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
(2,5-dimethoxy-4-methylphenyl)-(dimethylamino)methanethiol
CID 116909428
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine (CID 116909230) is 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine is CNC(c1cc(C)c(OC)cc1C)N(C)C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine?
The InChIKey is HSQYIKKQBPSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-8-12(16-6)10(2)7-11(9)13(14-3)15(4)5/h7-8,13-14H,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine?
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine has a molecular weight of 222.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine is sourced from PubChem (CID 116909230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).