5-chloro-2-[2-(dimethylamino)ethoxy]aniline

C10H15ClN2O — CID 18449144

IUPAC5-chloro-2-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C10H15ClN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyOQTYBJCISJYPPM-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.86
Rot. Bonds4

About 5-chloro-2-[2-(dimethylamino)ethoxy]aniline

5-chloro-2-[2-(dimethylamino)ethoxy]aniline (PubChem CID 18449144) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-2-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(dimethylamino)ethoxy]aniline
PubChem CID18449144
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-chloro-2-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C10H15ClN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyOQTYBJCISJYPPM-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of 5-chloro-2-[2-(dimethylamino)ethoxy]aniline (CID 18449144) is 5-chloro-2-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for 5-chloro-2-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for 5-chloro-2-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is OQTYBJCISJYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(dimethylamino)ethoxy]aniline?
5-chloro-2-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 214.70 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 18449144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).