1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone

C14H14N2O2 — CID 134828568

IUPAC1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(N)ccc2C)nc1
InChIInChI=1S/C14H14N2O2/c1-9-3-5-12(15)7-13(9)18-14-6-4-11(8-16-14)10(2)17/h3-8H,15H2,1-2H3
InChIKeyWIDJYEBNKPRZGT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.97
Rot. Bonds3

About 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone

1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone (PubChem CID 134828568) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
PubChem CID134828568
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(N)ccc2C)nc1
InChIInChI=1S/C14H14N2O2/c1-9-3-5-12(15)7-13(9)18-14-6-4-11(8-16-14)10(2)17/h3-8H,15H2,1-2H3
InChIKeyWIDJYEBNKPRZGT-UHFFFAOYSA-N
XLogP2.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.97
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

1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[6-[4-[1-(1,1-difluoroethyl)cyclopropyl]-2-methylphenoxy]-3-pyridinyl]ethanone
CID 158968389

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone (CID 134828568) is 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cc(N)ccc2C)nc1.
What is the InChIKey of 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is WIDJYEBNKPRZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-5-12(15)7-13(9)18-14-6-4-11(8-16-14)10(2)17/h3-8H,15H2,1-2H3.
What are the key properties of 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone?
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 134828568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).