2-(4-ethoxyphenyl)-N,N-diethylaniline

C18H23NO — CID 70567665

IUPAC2-(4-ethoxyphenyl)-N,N-diethylaniline
SMILESCCOc1ccc(-c2ccccc2N(CC)CC)cc1
InChIInChI=1S/C18H23NO/c1-4-19(5-2)18-10-8-7-9-17(18)15-11-13-16(14-12-15)20-6-3/h7-14H,4-6H2,1-3H3
InChIKeyMZPDMBMRRRKBOI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N,N-diethylaniline

2-(4-ethoxyphenyl)-N,N-diethylaniline (PubChem CID 70567665) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N,N-diethylaniline.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N,N-diethylaniline
PubChem CID70567665
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(4-ethoxyphenyl)-N,N-diethylaniline
SMILESCCOc1ccc(-c2ccccc2N(CC)CC)cc1
InChIInChI=1S/C18H23NO/c1-4-19(5-2)18-10-8-7-9-17(18)15-11-13-16(14-12-15)20-6-3/h7-14H,4-6H2,1-3H3
InChIKeyMZPDMBMRRRKBOI-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N,N-diethylaniline?
The IUPAC name of 2-(4-ethoxyphenyl)-N,N-diethylaniline (CID 70567665) is 2-(4-ethoxyphenyl)-N,N-diethylaniline.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N,N-diethylaniline?
The canonical SMILES for 2-(4-ethoxyphenyl)-N,N-diethylaniline is CCOc1ccc(-c2ccccc2N(CC)CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N,N-diethylaniline?
The InChIKey is MZPDMBMRRRKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19(5-2)18-10-8-7-9-17(18)15-11-13-16(14-12-15)20-6-3/h7-14H,4-6H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-N,N-diethylaniline?
2-(4-ethoxyphenyl)-N,N-diethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N,N-diethylaniline is sourced from PubChem (CID 70567665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).