N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline

C20H27NO — CID 70633070

IUPACN-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
SMILESCCc1ccccc1OC(CC)CN(CC)c1ccccc1
InChIInChI=1S/C20H27NO/c1-4-17-12-10-11-15-20(17)22-19(5-2)16-21(6-3)18-13-8-7-9-14-18/h7-15,19H,4-6,16H2,1-3H3
InChIKeyWHFXRCXAWZRGHB-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.93
Rot. Bonds8

About N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline

N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline (PubChem CID 70633070) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
PubChem CID70633070
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
SMILESCCc1ccccc1OC(CC)CN(CC)c1ccccc1
InChIInChI=1S/C20H27NO/c1-4-17-12-10-11-15-20(17)22-19(5-2)16-21(6-3)18-13-8-7-9-14-18/h7-15,19H,4-6,16H2,1-3H3
InChIKeyWHFXRCXAWZRGHB-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline?
The IUPAC name of N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline (CID 70633070) is N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline?
The canonical SMILES for N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline is CCc1ccccc1OC(CC)CN(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline?
The InChIKey is WHFXRCXAWZRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-17-12-10-11-15-20(17)22-19(5-2)16-21(6-3)18-13-8-7-9-14-18/h7-15,19H,4-6,16H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline?
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline has a molecular weight of 297.44 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline is sourced from PubChem (CID 70633070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).