3-[2-(diethylamino)ethoxy]aniline

C12H20N2O — CID 23008789

IUPAC3-[2-(diethylamino)ethoxy]aniline
SMILESCCN(CC)CCOc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-12-7-5-6-11(13)10-12/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyMMDPMQBHVFPULC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-(diethylamino)ethoxy]aniline

3-[2-(diethylamino)ethoxy]aniline (PubChem CID 23008789) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]aniline
PubChem CID23008789
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[2-(diethylamino)ethoxy]aniline
SMILESCCN(CC)CCOc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-12-7-5-6-11(13)10-12/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyMMDPMQBHVFPULC-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.99
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 3-[2-(diethylamino)ethoxy]aniline?
The IUPAC name of 3-[2-(diethylamino)ethoxy]aniline (CID 23008789) is 3-[2-(diethylamino)ethoxy]aniline.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]aniline?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]aniline is CCN(CC)CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]aniline?
The InChIKey is MMDPMQBHVFPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-12-7-5-6-11(13)10-12/h5-7,10H,3-4,8-9,13H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]aniline?
3-[2-(diethylamino)ethoxy]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]aniline is sourced from PubChem (CID 23008789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).