4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine

C16H19N3O3 — CID 88946517

IUPAC4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine
SMILESCCOOC/C=C/c1c(Oc2ccc(N)cc2)ccnc1N
InChIInChI=1S/C16H19N3O3/c1-2-20-21-11-3-4-14-15(9-10-19-16(14)18)22-13-7-5-12(17)6-8-13/h3-10H,2,11,17H2,1H3,(H2,18,19)/b4-3+
InChIKeyUJEDIGUPEYMJIH-ONEGZZNKSA-N
MW301.35 g/mol
LogP3.02
Rot. Bonds7

About 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine

4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine (PubChem CID 88946517) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine
PubChem CID88946517
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine
SMILESCCOOC/C=C/c1c(Oc2ccc(N)cc2)ccnc1N
InChIInChI=1S/C16H19N3O3/c1-2-20-21-11-3-4-14-15(9-10-19-16(14)18)22-13-7-5-12(17)6-8-13/h3-10H,2,11,17H2,1H3,(H2,18,19)/b4-3+
InChIKeyUJEDIGUPEYMJIH-ONEGZZNKSA-N
XLogP3.02
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-3-chloropyridin-2-amine
CID 89410344
4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
CID 91101107
ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
CID 143215967
4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
CID 88973251
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
CID 89150413
3-chloro-4-ethoxypyridin-2-amine
CID 154642114
N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
CID 143215939

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine?
The IUPAC name of 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine (CID 88946517) is 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine?
The canonical SMILES for 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine is CCOOC/C=C/c1c(Oc2ccc(N)cc2)ccnc1N.
What is the InChIKey of 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine?
The InChIKey is UJEDIGUPEYMJIH-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-20-21-11-3-4-14-15(9-10-19-16(14)18)22-13-7-5-12(17)6-8-13/h3-10H,2,11,17H2,1H3,(H2,18,19)/b4-3+.
What are the key properties of 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine?
4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 88946517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).