1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone

C11H15NO2 — CID 116577397

IUPAC1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
SMILESCOCC(=O)c1ccccc1CCN
InChIInChI=1S/C11H15NO2/c1-14-8-11(13)10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3
InChIKeySJOHYUKWMKOVAC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone

1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone (PubChem CID 116577397) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
PubChem CID116577397
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
SMILESCOCC(=O)c1ccccc1CCN
InChIInChI=1S/C11H15NO2/c1-14-8-11(13)10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3
InChIKeySJOHYUKWMKOVAC-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
[2-(2-methoxyacetyl)phenyl]methyl-trimethylazanium
CID 166437228
1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
CID 116577352
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
1-[2-(2-aminoethyl)phenyl]-3-propylsulfonylpropan-1-one
CID 106736494
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
1-[2-(2-aminoethyl)phenyl]-3-cyclopentylpropan-1-one
CID 114193576
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
1-[2-(2-aminoethyl)phenyl]oct-7-en-1-one
CID 107010889
1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
CID 116577417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone (CID 116577397) is 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone is COCC(=O)c1ccccc1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone?
The InChIKey is SJOHYUKWMKOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-8-11(13)10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone?
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone has a molecular weight of 193.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone is sourced from PubChem (CID 116577397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).