N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline

C13H21NO2 — CID 115259380

IUPACN-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
SMILESCCN(C)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-7-14(4)11-8-12(15-5)9(2)10(3)13(11)16-6/h8H,7H2,1-6H3
InChIKeyUAXVVHPEIHJGAD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.78
Rot. Bonds4

About N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline

N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline (PubChem CID 115259380) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline.

Molecular Properties

Compound NameN-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
PubChem CID115259380
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
SMILESCCN(C)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-7-14(4)11-8-12(15-5)9(2)10(3)13(11)16-6/h8H,7H2,1-6H3
InChIKeyUAXVVHPEIHJGAD-UHFFFAOYSA-N
XLogP2.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
CID 115225660
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
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N-ethyl-2-methoxy-N,4-dimethylaniline
CID 90305517
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline?
The IUPAC name of N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline (CID 115259380) is N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline.
What is the SMILES notation for N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline?
The canonical SMILES for N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline is CCN(C)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline?
The InChIKey is UAXVVHPEIHJGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-7-14(4)11-8-12(15-5)9(2)10(3)13(11)16-6/h8H,7H2,1-6H3.
What are the key properties of N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline?
N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline is sourced from PubChem (CID 115259380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).