3-[1-(2-methoxyethylamino)propyl]-N-methylaniline

C13H22N2O — CID 91221566

IUPAC3-[1-(2-methoxyethylamino)propyl]-N-methylaniline
SMILESCCC(NCCOC)c1cccc(NC)c1
InChIInChI=1S/C13H22N2O/c1-4-13(15-8-9-16-3)11-6-5-7-12(10-11)14-2/h5-7,10,13-15H,4,8-9H2,1-3H3
InChIKeyRMKXSRNYXTWMRK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds7

About 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline

3-[1-(2-methoxyethylamino)propyl]-N-methylaniline (PubChem CID 91221566) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline.

Molecular Properties

Compound Name3-[1-(2-methoxyethylamino)propyl]-N-methylaniline
PubChem CID91221566
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[1-(2-methoxyethylamino)propyl]-N-methylaniline
SMILESCCC(NCCOC)c1cccc(NC)c1
InChIInChI=1S/C13H22N2O/c1-4-13(15-8-9-16-3)11-6-5-7-12(10-11)14-2/h5-7,10,13-15H,4,8-9H2,1-3H3
InChIKeyRMKXSRNYXTWMRK-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline?
The IUPAC name of 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline (CID 91221566) is 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline.
What is the SMILES notation for 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline?
The canonical SMILES for 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline is CCC(NCCOC)c1cccc(NC)c1.
What is the InChIKey of 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline?
The InChIKey is RMKXSRNYXTWMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(15-8-9-16-3)11-6-5-7-12(10-11)14-2/h5-7,10,13-15H,4,8-9H2,1-3H3.
What are the key properties of 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline?
3-[1-(2-methoxyethylamino)propyl]-N-methylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethylamino)propyl]-N-methylaniline is sourced from PubChem (CID 91221566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).