1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone

C14H14N2O3 — CID 116541549

IUPAC1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1cc(Oc2ccc(N)cc2C(C)=O)ccn1
InChIInChI=1S/C14H14N2O3/c1-9(17)12-7-10(15)3-4-13(12)19-11-5-6-16-14(8-11)18-2/h3-8H,15H2,1-2H3
InChIKeyMNJRHGHDXFFXPZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.67
Rot. Bonds4

About 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone

1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone (PubChem CID 116541549) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
PubChem CID116541549
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1cc(Oc2ccc(N)cc2C(C)=O)ccn1
InChIInChI=1S/C14H14N2O3/c1-9(17)12-7-10(15)3-4-13(12)19-11-5-6-16-14(8-11)18-2/h3-8H,15H2,1-2H3
InChIKeyMNJRHGHDXFFXPZ-UHFFFAOYSA-N
XLogP2.67
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
CID 114222924
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
CID 103204594
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 116541105
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone (CID 116541549) is 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone is COc1cc(Oc2ccc(N)cc2C(C)=O)ccn1.
What is the InChIKey of 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is MNJRHGHDXFFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)12-7-10(15)3-4-13(12)19-11-5-6-16-14(8-11)18-2/h3-8H,15H2,1-2H3.
What are the key properties of 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 258.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 116541549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).