1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone

C16H18N2O3 — CID 116541105

IUPAC1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCOc1cc(C)nc(COc2ccc(N)cc2C(C)=O)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8H,9,17H2,1-3H3
InChIKeyFAEPEADRCCUXKX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.76
Rot. Bonds5

About 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone

1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone (PubChem CID 116541105) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
PubChem CID116541105
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCOc1cc(C)nc(COc2ccc(N)cc2C(C)=O)c1
InChIInChI=1S/C16H18N2O3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8H,9,17H2,1-3H3
InChIKeyFAEPEADRCCUXKX-UHFFFAOYSA-N
XLogP2.76
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.76
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

4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898
2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
CID 82893166
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 82887878
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone (CID 116541105) is 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone is COc1cc(C)nc(COc2ccc(N)cc2C(C)=O)c1.
What is the InChIKey of 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The InChIKey is FAEPEADRCCUXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8H,9,17H2,1-3H3.
What are the key properties of 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 116541105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).