3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline

C15H26N2O3 — CID 104563895

IUPAC3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
SMILESCOCCOCCOCCN(C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O3/c1-17(13-14-4-3-5-15(16)12-14)6-7-19-10-11-20-9-8-18-2/h3-5,12H,6-11,13,16H2,1-2H3
InChIKeyNBDMVJPEAZULSM-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.38
Rot. Bonds11

About 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline

3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline (PubChem CID 104563895) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
PubChem CID104563895
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
SMILESCOCCOCCOCCN(C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O3/c1-17(13-14-4-3-5-15(16)12-14)6-7-19-10-11-20-9-8-18-2/h3-5,12H,6-11,13,16H2,1-2H3
InChIKeyNBDMVJPEAZULSM-UHFFFAOYSA-N
XLogP1.38
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]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

3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]benzonitrile
CID 104563017
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzenecarbothioamide
CID 103409817
3-[[2-(3-methoxypropoxy)ethyl-methylamino]methyl]benzenecarbothioamide
CID 103179752
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzonitrile
CID 103409783

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline?
The IUPAC name of 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline (CID 104563895) is 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline.
What is the SMILES notation for 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline?
The canonical SMILES for 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline is COCCOCCOCCN(C)Cc1cccc(N)c1.
What is the InChIKey of 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline?
The InChIKey is NBDMVJPEAZULSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(13-14-4-3-5-15(16)12-14)6-7-19-10-11-20-9-8-18-2/h3-5,12H,6-11,13,16H2,1-2H3.
What are the key properties of 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline?
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline has a molecular weight of 282.38 g/mol, XLogP of 1.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline is sourced from PubChem (CID 104563895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).