3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline

C13H22N2O — CID 115341872

IUPAC3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
SMILESCOCCN(C)CCCc1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-15(9-10-16-2)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11H,4,6,8-10,14H2,1-2H3
InChIKeyDLLBHWLDOJYPIN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds7

About 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline

3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline (PubChem CID 115341872) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
PubChem CID115341872
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
SMILESCOCCN(C)CCCc1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-15(9-10-16-2)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11H,4,6,8-10,14H2,1-2H3
InChIKeyDLLBHWLDOJYPIN-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
CID 113290639
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
3-pentylaniline
CID 19911390
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline?
The IUPAC name of 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline (CID 115341872) is 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline.
What is the SMILES notation for 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline?
The canonical SMILES for 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline is COCCN(C)CCCc1cccc(N)c1.
What is the InChIKey of 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline?
The InChIKey is DLLBHWLDOJYPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(9-10-16-2)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11H,4,6,8-10,14H2,1-2H3.
What are the key properties of 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline?
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline has a molecular weight of 222.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline is sourced from PubChem (CID 115341872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).