4-[2-(dimethylamino)ethoxy]aniline

C10H16N2O — CID 6484655

IUPAC4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKeyCCCVQPGAXZNTIL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.21
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]aniline

4-[2-(dimethylamino)ethoxy]aniline (PubChem CID 6484655) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]aniline
PubChem CID6484655
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKeyCCCVQPGAXZNTIL-UHFFFAOYSA-N
XLogP1.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]aniline (CID 6484655) is 4-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is CCCVQPGAXZNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]aniline?
4-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 180.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 6484655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).