2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline

C34H32N2O4 — CID 22338530

IUPAC2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline
SMILESCCc1cccc(N)c1Oc1ccccc1Oc1cccc(Oc2ccccc2Oc2c(N)cccc2CC)c1
InChIInChI=1S/C34H32N2O4/c1-3-23-12-9-16-27(35)33(23)39-31-20-7-5-18-29(31)37-25-14-11-15-26(22-25)38-30-19-6-8-21-32(30)40-34-24(4-2)13-10-17-28(34)36/h5-22H,3-4,35-36H2,1-2H3
InChIKeyWZFPYABVTIAQNJ-UHFFFAOYSA-N
MW532.64 g/mol
LogP9.15
Rot. Bonds10

About 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline

2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline (PubChem CID 22338530) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline.

Molecular Properties

Compound Name2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline
PubChem CID22338530
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC Name2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline
SMILESCCc1cccc(N)c1Oc1ccccc1Oc1cccc(Oc2ccccc2Oc2c(N)cccc2CC)c1
InChIInChI=1S/C34H32N2O4/c1-3-23-12-9-16-27(35)33(23)39-31-20-7-5-18-29(31)37-25-14-11-15-26(22-25)38-30-19-6-8-21-32(30)40-34-24(4-2)13-10-17-28(34)36/h5-22H,3-4,35-36H2,1-2H3
InChIKeyWZFPYABVTIAQNJ-UHFFFAOYSA-N
XLogP9.15
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline?
The IUPAC name of 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline (CID 22338530) is 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline.
What is the SMILES notation for 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline?
The canonical SMILES for 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline is CCc1cccc(N)c1Oc1ccccc1Oc1cccc(Oc2ccccc2Oc2c(N)cccc2CC)c1.
What is the InChIKey of 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline?
The InChIKey is WZFPYABVTIAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-3-23-12-9-16-27(35)33(23)39-31-20-7-5-18-29(31)37-25-14-11-15-26(22-25)38-30-19-6-8-21-32(30)40-34-24(4-2)13-10-17-28(34)36/h5-22H,3-4,35-36H2,1-2H3.
What are the key properties of 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline?
2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline has a molecular weight of 532.64 g/mol, XLogP of 9.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline is sourced from PubChem (CID 22338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).