1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone

C15H15NO2 — CID 82117522

IUPAC1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H15NO2/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9H,10,16H2,1H3
InChIKeyXMYAEQNHQLTPDH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone

1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone (PubChem CID 82117522) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
PubChem CID82117522
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H15NO2/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9H,10,16H2,1H3
InChIKeyXMYAEQNHQLTPDH-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.84
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

2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
methyl 3-aminobenzoate;1,2-xylene
CID 174602460
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanone
CID 43612405
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone (CID 82117522) is 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone?
The InChIKey is XMYAEQNHQLTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9H,10,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone?
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone has a molecular weight of 241.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 82117522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).