2-(3-ethylhexoxy)-N,N-dipropylaniline

C20H35NO — CID 165390175

IUPAC2-(3-ethylhexoxy)-N,N-dipropylaniline
SMILESCCCC(CC)CCOc1ccccc1N(CCC)CCC
InChIInChI=1S/C20H35NO/c1-5-11-18(8-4)14-17-22-20-13-10-9-12-19(20)21(15-6-2)16-7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3
InChIKeyCEGVQYQTPNUXOC-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.91
Rot. Bonds12

About 2-(3-ethylhexoxy)-N,N-dipropylaniline

2-(3-ethylhexoxy)-N,N-dipropylaniline (PubChem CID 165390175) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-(3-ethylhexoxy)-N,N-dipropylaniline.

Molecular Properties

Compound Name2-(3-ethylhexoxy)-N,N-dipropylaniline
PubChem CID165390175
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name2-(3-ethylhexoxy)-N,N-dipropylaniline
SMILESCCCC(CC)CCOc1ccccc1N(CCC)CCC
InChIInChI=1S/C20H35NO/c1-5-11-18(8-4)14-17-22-20-13-10-9-12-19(20)21(15-6-2)16-7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3
InChIKeyCEGVQYQTPNUXOC-UHFFFAOYSA-N
XLogP5.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethylhexoxy)-N,N-dipropylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylhexoxy)-N,N-dipropylaniline?
The IUPAC name of 2-(3-ethylhexoxy)-N,N-dipropylaniline (CID 165390175) is 2-(3-ethylhexoxy)-N,N-dipropylaniline.
What is the SMILES notation for 2-(3-ethylhexoxy)-N,N-dipropylaniline?
The canonical SMILES for 2-(3-ethylhexoxy)-N,N-dipropylaniline is CCCC(CC)CCOc1ccccc1N(CCC)CCC.
What is the InChIKey of 2-(3-ethylhexoxy)-N,N-dipropylaniline?
The InChIKey is CEGVQYQTPNUXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-5-11-18(8-4)14-17-22-20-13-10-9-12-19(20)21(15-6-2)16-7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3.
What are the key properties of 2-(3-ethylhexoxy)-N,N-dipropylaniline?
2-(3-ethylhexoxy)-N,N-dipropylaniline has a molecular weight of 305.51 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylhexoxy)-N,N-dipropylaniline is sourced from PubChem (CID 165390175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).