2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline

C20H27NO3 — CID 54801716

IUPAC2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
SMILESCCOCCOc1ccccc1NCCOc1ccc(CC)cc1
InChIInChI=1S/C20H27NO3/c1-3-17-9-11-18(12-10-17)23-14-13-21-19-7-5-6-8-20(19)24-16-15-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyHAXQTUCHXUQEDJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.16
Rot. Bonds11

About 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline

2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline (PubChem CID 54801716) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
PubChem CID54801716
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
SMILESCCOCCOc1ccccc1NCCOc1ccc(CC)cc1
InChIInChI=1S/C20H27NO3/c1-3-17-9-11-18(12-10-17)23-14-13-21-19-7-5-6-8-20(19)24-16-15-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyHAXQTUCHXUQEDJ-UHFFFAOYSA-N
XLogP4.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline (CID 54801716) is 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline is CCOCCOc1ccccc1NCCOc1ccc(CC)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline?
The InChIKey is HAXQTUCHXUQEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-17-9-11-18(12-10-17)23-14-13-21-19-7-5-6-8-20(19)24-16-15-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline?
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline has a molecular weight of 329.44 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline is sourced from PubChem (CID 54801716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).