1-(4-amino-3-methoxy-5-methylphenyl)ethanone

C10H13NO2 — CID 54447839

IUPAC1-(4-amino-3-methoxy-5-methylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(C)c1N
InChIInChI=1S/C10H13NO2/c1-6-4-8(7(2)12)5-9(13-3)10(6)11/h4-5H,11H2,1-3H3
InChIKeyWSUMXMZLCKHFGD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.79
Rot. Bonds2

About 1-(4-amino-3-methoxy-5-methylphenyl)ethanone

1-(4-amino-3-methoxy-5-methylphenyl)ethanone (PubChem CID 54447839) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-amino-3-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methoxy-5-methylphenyl)ethanone
PubChem CID54447839
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-amino-3-methoxy-5-methylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(C)c1N
InChIInChI=1S/C10H13NO2/c1-6-4-8(7(2)12)5-9(13-3)10(6)11/h4-5H,11H2,1-3H3
InChIKeyWSUMXMZLCKHFGD-UHFFFAOYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
1-(3-amino-5-methoxy-4-nitrophenyl)ethanone
CID 171023254
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
1-(3,5-diacetyl-4-aminophenyl)ethanone
CID 172790356
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
1-(3-amino-4,5-dimethylphenyl)ethanone
CID 86160424
2-methoxy-6-methyl-4-nitrosoaniline
CID 89377766
1-(5-amino-3-methoxyfuran-2-yl)ethanone
CID 96635196
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
4-amino-3-methoxy-5-sulfanylbenzoic acid
CID 23091979

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-methoxy-5-methylphenyl)ethanone (CID 54447839) is 1-(4-amino-3-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methoxy-5-methylphenyl)ethanone is COc1cc(C(C)=O)cc(C)c1N.
What is the InChIKey of 1-(4-amino-3-methoxy-5-methylphenyl)ethanone?
The InChIKey is WSUMXMZLCKHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-4-8(7(2)12)5-9(13-3)10(6)11/h4-5H,11H2,1-3H3.
What are the key properties of 1-(4-amino-3-methoxy-5-methylphenyl)ethanone?
1-(4-amino-3-methoxy-5-methylphenyl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 54447839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).