5-ethoxy-N,N,2-trimethylaniline

C11H17NO — CID 54263665

IUPAC5-ethoxy-N,N,2-trimethylaniline
SMILESCCOc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C11H17NO/c1-5-13-10-7-6-9(2)11(8-10)12(3)4/h6-8H,5H2,1-4H3
InChIKeyRFGDWKFCKURCEP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.46
Rot. Bonds3

About 5-ethoxy-N,N,2-trimethylaniline

5-ethoxy-N,N,2-trimethylaniline (PubChem CID 54263665) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-ethoxy-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-ethoxy-N,N,2-trimethylaniline
PubChem CID54263665
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-ethoxy-N,N,2-trimethylaniline
SMILESCCOc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C11H17NO/c1-5-13-10-7-6-9(2)11(8-10)12(3)4/h6-8H,5H2,1-4H3
InChIKeyRFGDWKFCKURCEP-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethoxy-N,N,2-trimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
N'-(2,5-diethoxyphenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 54280785
5-(4-heptan-4-yloxyphenyl)-N,N,2-trimethylaniline
CID 176968347
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2,6-diethoxyanthracene
CID 12651989
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
2-(3-bromopropyl)-4-ethoxy-1-methylbenzene
CID 118836441
2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
CID 115376297

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,N,2-trimethylaniline?
The IUPAC name of 5-ethoxy-N,N,2-trimethylaniline (CID 54263665) is 5-ethoxy-N,N,2-trimethylaniline.
What is the SMILES notation for 5-ethoxy-N,N,2-trimethylaniline?
The canonical SMILES for 5-ethoxy-N,N,2-trimethylaniline is CCOc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 5-ethoxy-N,N,2-trimethylaniline?
The InChIKey is RFGDWKFCKURCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-13-10-7-6-9(2)11(8-10)12(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 5-ethoxy-N,N,2-trimethylaniline?
5-ethoxy-N,N,2-trimethylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,N,2-trimethylaniline is sourced from PubChem (CID 54263665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).