3,5-diethoxy-N,2,4-trimethylaniline

C13H21NO2 — CID 163819596

IUPAC3,5-diethoxy-N,2,4-trimethylaniline
SMILESCCOc1cc(NC)c(C)c(OCC)c1C
InChIInChI=1S/C13H21NO2/c1-6-15-12-8-11(14-5)9(3)13(10(12)4)16-7-2/h8,14H,6-7H2,1-5H3
InChIKeyNUGKQCOYAOSYQK-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.14
Rot. Bonds5

About 3,5-diethoxy-N,2,4-trimethylaniline

3,5-diethoxy-N,2,4-trimethylaniline (PubChem CID 163819596) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5-diethoxy-N,2,4-trimethylaniline.

Molecular Properties

Compound Name3,5-diethoxy-N,2,4-trimethylaniline
PubChem CID163819596
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,5-diethoxy-N,2,4-trimethylaniline
SMILESCCOc1cc(NC)c(C)c(OCC)c1C
InChIInChI=1S/C13H21NO2/c1-6-15-12-8-11(14-5)9(3)13(10(12)4)16-7-2/h8,14H,6-7H2,1-5H3
InChIKeyNUGKQCOYAOSYQK-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
2,4-diethoxy-3-methylphenol
CID 11030728
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
(NE,S)-N-[(3,5-diethoxy-2,4-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 164945558
CID 174707577
CID 174707577

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-N,2,4-trimethylaniline?
The IUPAC name of 3,5-diethoxy-N,2,4-trimethylaniline (CID 163819596) is 3,5-diethoxy-N,2,4-trimethylaniline.
What is the SMILES notation for 3,5-diethoxy-N,2,4-trimethylaniline?
The canonical SMILES for 3,5-diethoxy-N,2,4-trimethylaniline is CCOc1cc(NC)c(C)c(OCC)c1C.
What is the InChIKey of 3,5-diethoxy-N,2,4-trimethylaniline?
The InChIKey is NUGKQCOYAOSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-6-15-12-8-11(14-5)9(3)13(10(12)4)16-7-2/h8,14H,6-7H2,1-5H3.
What are the key properties of 3,5-diethoxy-N,2,4-trimethylaniline?
3,5-diethoxy-N,2,4-trimethylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N,2,4-trimethylaniline is sourced from PubChem (CID 163819596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).