3,4-diethoxy-N-(2-phenylethyl)aniline

C18H23NO2 — CID 29291848

IUPAC3,4-diethoxy-N-(2-phenylethyl)aniline
SMILESCCOc1ccc(NCCc2ccccc2)cc1OCC
InChIInChI=1S/C18H23NO2/c1-3-20-17-11-10-16(14-18(17)21-4-2)19-13-12-15-8-6-5-7-9-15/h5-11,14,19H,3-4,12-13H2,1-2H3
InChIKeyWTGWAAPAIIFNHG-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds8

About 3,4-diethoxy-N-(2-phenylethyl)aniline

3,4-diethoxy-N-(2-phenylethyl)aniline (PubChem CID 29291848) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-phenylethyl)aniline
PubChem CID29291848
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,4-diethoxy-N-(2-phenylethyl)aniline
SMILESCCOc1ccc(NCCc2ccccc2)cc1OCC
InChIInChI=1S/C18H23NO2/c1-3-20-17-11-10-16(14-18(17)21-4-2)19-13-12-15-8-6-5-7-9-15/h5-11,14,19H,3-4,12-13H2,1-2H3
InChIKeyWTGWAAPAIIFNHG-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-phenylethyl)aniline?
The IUPAC name of 3,4-diethoxy-N-(2-phenylethyl)aniline (CID 29291848) is 3,4-diethoxy-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3,4-diethoxy-N-(2-phenylethyl)aniline?
The canonical SMILES for 3,4-diethoxy-N-(2-phenylethyl)aniline is CCOc1ccc(NCCc2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-phenylethyl)aniline?
The InChIKey is WTGWAAPAIIFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-17-11-10-16(14-18(17)21-4-2)19-13-12-15-8-6-5-7-9-15/h5-11,14,19H,3-4,12-13H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-(2-phenylethyl)aniline?
3,4-diethoxy-N-(2-phenylethyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-phenylethyl)aniline is sourced from PubChem (CID 29291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).