3-(2-tert-butylphenoxy)-5-ethoxyaniline

C18H23NO2 — CID 80752966

IUPAC3-(2-tert-butylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H23NO2/c1-5-20-14-10-13(19)11-15(12-14)21-17-9-7-6-8-16(17)18(2,3)4/h6-12H,5,19H2,1-4H3
InChIKeyLZVNKZWRGHMFGM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.76
Rot. Bonds4

About 3-(2-tert-butylphenoxy)-5-ethoxyaniline

3-(2-tert-butylphenoxy)-5-ethoxyaniline (PubChem CID 80752966) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-5-ethoxyaniline
PubChem CID80752966
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2-tert-butylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H23NO2/c1-5-20-14-10-13(19)11-15(12-14)21-17-9-7-6-8-16(17)18(2,3)4/h6-12H,5,19H2,1-4H3
InChIKeyLZVNKZWRGHMFGM-UHFFFAOYSA-N
XLogP4.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-tert-butylphenoxy)-5-fluoroaniline
CID 80753317
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
3,5-diethoxyaniline
CID 22605063
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
6-(2-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43261983

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-5-ethoxyaniline?
The IUPAC name of 3-(2-tert-butylphenoxy)-5-ethoxyaniline (CID 80752966) is 3-(2-tert-butylphenoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(2-tert-butylphenoxy)-5-ethoxyaniline is CCOc1cc(N)cc(Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butylphenoxy)-5-ethoxyaniline?
The InChIKey is LZVNKZWRGHMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-20-14-10-13(19)11-15(12-14)21-17-9-7-6-8-16(17)18(2,3)4/h6-12H,5,19H2,1-4H3.
What are the key properties of 3-(2-tert-butylphenoxy)-5-ethoxyaniline?
3-(2-tert-butylphenoxy)-5-ethoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-5-ethoxyaniline is sourced from PubChem (CID 80752966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).