N-(2,2-diethoxyethyl)aniline

C12H19NO2 — CID 519978

IUPACN-(2,2-diethoxyethyl)aniline
SMILESCCOC(CNc1ccccc1)OCC
InChIInChI=1S/C12H19NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyDHGUGEBXVGPRRD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.50
Rot. Bonds7

About N-(2,2-diethoxyethyl)aniline

N-(2,2-diethoxyethyl)aniline (PubChem CID 519978) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)aniline.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)aniline
PubChem CID519978
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2,2-diethoxyethyl)aniline
SMILESCCOC(CNc1ccccc1)OCC
InChIInChI=1S/C12H19NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyDHGUGEBXVGPRRD-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)aniline?
The IUPAC name of N-(2,2-diethoxyethyl)aniline (CID 519978) is N-(2,2-diethoxyethyl)aniline.
What is the SMILES notation for N-(2,2-diethoxyethyl)aniline?
The canonical SMILES for N-(2,2-diethoxyethyl)aniline is CCOC(CNc1ccccc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)aniline?
The InChIKey is DHGUGEBXVGPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)aniline?
N-(2,2-diethoxyethyl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)aniline is sourced from PubChem (CID 519978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).