3-[2-(dimethylamino)ethoxy]-4-methoxyaniline

C11H18N2O2 — CID 10560398

IUPAC3-[2-(dimethylamino)ethoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCCN(C)C
InChIInChI=1S/C11H18N2O2/c1-13(2)6-7-15-11-8-9(12)4-5-10(11)14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyWFMRAKZOFYATRY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline

3-[2-(dimethylamino)ethoxy]-4-methoxyaniline (PubChem CID 10560398) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-4-methoxyaniline
PubChem CID10560398
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[2-(dimethylamino)ethoxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCCN(C)C
InChIInChI=1S/C11H18N2O2/c1-13(2)6-7-15-11-8-9(12)4-5-10(11)14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyWFMRAKZOFYATRY-UHFFFAOYSA-N
XLogP1.22
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline (CID 10560398) is 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline is COc1ccc(N)cc1OCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline?
The InChIKey is WFMRAKZOFYATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)6-7-15-11-8-9(12)4-5-10(11)14-3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline?
3-[2-(dimethylamino)ethoxy]-4-methoxyaniline has a molecular weight of 210.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-4-methoxyaniline is sourced from PubChem (CID 10560398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).