1-(2-methoxyanilino)propan-2-one

C10H13NO2 — CID 3086272

IUPAC1-(2-methoxyanilino)propan-2-one
SMILESCOc1ccccc1NCC(C)=O
InChIInChI=1S/C10H13NO2/c1-8(12)7-11-9-5-3-4-6-10(9)13-2/h3-6,11H,7H2,1-2H3
InChIKeyBLTOCKUZVXQTPH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-methoxyanilino)propan-2-one

1-(2-methoxyanilino)propan-2-one (PubChem CID 3086272) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2-methoxyanilino)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyanilino)propan-2-one
PubChem CID3086272
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2-methoxyanilino)propan-2-one
SMILESCOc1ccccc1NCC(C)=O
InChIInChI=1S/C10H13NO2/c1-8(12)7-11-9-5-3-4-6-10(9)13-2/h3-6,11H,7H2,1-2H3
InChIKeyBLTOCKUZVXQTPH-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)propan-2-one?
The IUPAC name of 1-(2-methoxyanilino)propan-2-one (CID 3086272) is 1-(2-methoxyanilino)propan-2-one.
What is the SMILES notation for 1-(2-methoxyanilino)propan-2-one?
The canonical SMILES for 1-(2-methoxyanilino)propan-2-one is COc1ccccc1NCC(C)=O.
What is the InChIKey of 1-(2-methoxyanilino)propan-2-one?
The InChIKey is BLTOCKUZVXQTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)7-11-9-5-3-4-6-10(9)13-2/h3-6,11H,7H2,1-2H3.
What are the key properties of 1-(2-methoxyanilino)propan-2-one?
1-(2-methoxyanilino)propan-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)propan-2-one is sourced from PubChem (CID 3086272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).