3-(2-ethoxyethyl)-N,N-dimethylaniline

C12H19NO — CID 142585590

IUPAC3-(2-ethoxyethyl)-N,N-dimethylaniline
SMILESCCOCCc1cccc(N(C)C)c1
InChIInChI=1S/C12H19NO/c1-4-14-9-8-11-6-5-7-12(10-11)13(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyVBOUSNPQKXQBAA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds5

About 3-(2-ethoxyethyl)-N,N-dimethylaniline

3-(2-ethoxyethyl)-N,N-dimethylaniline (PubChem CID 142585590) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-N,N-dimethylaniline
PubChem CID142585590
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2-ethoxyethyl)-N,N-dimethylaniline
SMILESCCOCCc1cccc(N(C)C)c1
InChIInChI=1S/C12H19NO/c1-4-14-9-8-11-6-5-7-12(10-11)13(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyVBOUSNPQKXQBAA-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-ethoxyethyl)-N,N-dimethylaniline 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

1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
[3-(dimethylamino)phenyl]methyl 4-ethoxybutanoate
CID 56806949
3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
CID 153398401
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
CID 82353951
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
2-[[3-(dimethylamino)phenyl]methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222219
2-[[3-(dimethylamino)phenyl]methyl]-1-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111222218
2-[[3-(dimethylamino)phenyl]methyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111946171
2-[[3-(dimethylamino)phenyl]methyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111946170
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 130328244

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-ethoxyethyl)-N,N-dimethylaniline (CID 142585590) is 3-(2-ethoxyethyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-ethoxyethyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-ethoxyethyl)-N,N-dimethylaniline is CCOCCc1cccc(N(C)C)c1.
What is the InChIKey of 3-(2-ethoxyethyl)-N,N-dimethylaniline?
The InChIKey is VBOUSNPQKXQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-14-9-8-11-6-5-7-12(10-11)13(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 3-(2-ethoxyethyl)-N,N-dimethylaniline?
3-(2-ethoxyethyl)-N,N-dimethylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-N,N-dimethylaniline is sourced from PubChem (CID 142585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).