1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone

C16H18N2O3 — CID 116541551

IUPAC1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
SMILESCCCOc1cccnc1Oc1ccc(N)cc1C(C)=O
InChIInChI=1S/C16H18N2O3/c1-3-9-20-15-5-4-8-18-16(15)21-14-7-6-12(17)10-13(14)11(2)19/h4-8,10H,3,9,17H2,1-2H3
InChIKeyRJPXNYUZPAUCII-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.45
Rot. Bonds6

About 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone

1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone (PubChem CID 116541551) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
PubChem CID116541551
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
SMILESCCCOc1cccnc1Oc1ccc(N)cc1C(C)=O
InChIInChI=1S/C16H18N2O3/c1-3-9-20-15-5-4-8-18-16(15)21-14-7-6-12(17)10-13(14)11(2)19/h4-8,10H,3,9,17H2,1-2H3
InChIKeyRJPXNYUZPAUCII-UHFFFAOYSA-N
XLogP3.45
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.45
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-octoxyphenyl)ethanone
CID 26223
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 116541549
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-butoxybenzoate
CID 23167453
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone (CID 116541551) is 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone is CCCOc1cccnc1Oc1ccc(N)cc1C(C)=O.
What is the InChIKey of 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is RJPXNYUZPAUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-9-20-15-5-4-8-18-16(15)21-14-7-6-12(17)10-13(14)11(2)19/h4-8,10H,3,9,17H2,1-2H3.
What are the key properties of 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone?
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 116541551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).