N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine

C12H20N2O2 — CID 115225660

IUPACN'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
SMILESCOc1cc(N(C)CN)c(OC)c(C)c1C
InChIInChI=1S/C12H20N2O2/c1-8-9(2)12(16-5)10(14(3)7-13)6-11(8)15-4/h6H,7,13H2,1-5H3
InChIKeyNYCVCYWZIVLQCI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.67
Rot. Bonds4

About N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine

N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine (PubChem CID 115225660) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
PubChem CID115225660
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
SMILESCOc1cc(N(C)CN)c(OC)c(C)c1C
InChIInChI=1S/C12H20N2O2/c1-8-9(2)12(16-5)10(14(3)7-13)6-11(8)15-4/h6H,7,13H2,1-5H3
InChIKeyNYCVCYWZIVLQCI-UHFFFAOYSA-N
XLogP1.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
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

N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
CID 115259380
2-(2,5-dimethoxy-N,3,4-trimethylanilino)ethanethiol
CID 115223892
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135839
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine?
The IUPAC name of N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine (CID 115225660) is N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine is COc1cc(N(C)CN)c(OC)c(C)c1C.
What is the InChIKey of N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine?
The InChIKey is NYCVCYWZIVLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-9(2)12(16-5)10(14(3)7-13)6-11(8)15-4/h6H,7,13H2,1-5H3.
What are the key properties of N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine?
N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine has a molecular weight of 224.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 115225660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).