3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline

C17H22N2O2 — CID 103174344

IUPAC3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Oc2ccc(C)nc2CC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-20-14-9-13(18)10-15(11-14)21-17-7-6-12(3)19-16(17)5-2/h6-7,9-11H,4-5,8,18H2,1-3H3
InChIKeyDCIHWDNDKQYAEF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.12
Rot. Bonds6

About 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline

3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline (PubChem CID 103174344) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline.

Molecular Properties

Compound Name3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
PubChem CID103174344
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Oc2ccc(C)nc2CC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-20-14-9-13(18)10-15(11-14)21-17-7-6-12(3)19-16(17)5-2/h6-7,9-11H,4-5,8,18H2,1-3H3
InChIKeyDCIHWDNDKQYAEF-UHFFFAOYSA-N
XLogP4.12
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821
3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 103176295
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
CID 103174413
3-(4-chloro-3-methylphenoxy)-5-propoxyaniline
CID 80749221
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
CID 103174342
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
3-propoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80747977

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline?
The IUPAC name of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline (CID 103174344) is 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline.
What is the SMILES notation for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline?
The canonical SMILES for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline is CCCOc1cc(N)cc(Oc2ccc(C)nc2CC)c1.
What is the InChIKey of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline?
The InChIKey is DCIHWDNDKQYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-20-14-9-13(18)10-15(11-14)21-17-7-6-12(3)19-16(17)5-2/h6-7,9-11H,4-5,8,18H2,1-3H3.
What are the key properties of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline?
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline has a molecular weight of 286.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline is sourced from PubChem (CID 103174344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).