2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C17H29NO3 — CID 104562158

IUPAC2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCCc1cccc(CC)c1NCCOCCOCCOC
InChIInChI=1S/C17H29NO3/c1-4-15-7-6-8-16(5-2)17(15)18-9-10-20-13-14-21-12-11-19-3/h6-8,18H,4-5,9-14H2,1-3H3
InChIKeyYLESMNWQSWUSOY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds12

About 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104562158) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104562158
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCCc1cccc(CC)c1NCCOCCOCCOC
InChIInChI=1S/C17H29NO3/c1-4-15-7-6-8-16(5-2)17(15)18-9-10-20-13-14-21-12-11-19-3/h6-8,18H,4-5,9-14H2,1-3H3
InChIKeyYLESMNWQSWUSOY-UHFFFAOYSA-N
XLogP2.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline 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

2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide
CID 161061041
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251583
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
2,6-diethyl-N-octylaniline
CID 63491055
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104562158) is 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is CCc1cccc(CC)c1NCCOCCOCCOC.
What is the InChIKey of 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is YLESMNWQSWUSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-15-7-6-8-16(5-2)17(15)18-9-10-20-13-14-21-12-11-19-3/h6-8,18H,4-5,9-14H2,1-3H3.
What are the key properties of 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 295.42 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104562158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).