1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one

C17H19NO2 — CID 116555445

IUPAC1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CNc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-9-17(20-2)14(10-13)11-16(19)12-18-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3
InChIKeyDCZZILWKNQPAFR-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.23
Rot. Bonds6

About 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one

1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one (PubChem CID 116555445) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
PubChem CID116555445
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CNc1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-9-17(20-2)14(10-13)11-16(19)12-18-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3
InChIKeyDCZZILWKNQPAFR-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256
1-(2-methoxy-5-methylphenyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588701
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one (CID 116555445) is 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one is COc1ccc(C)cc1CC(=O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one?
The InChIKey is DCZZILWKNQPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-9-17(20-2)14(10-13)11-16(19)12-18-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one?
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 116555445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).