1-[2-(2-aminoethyl)phenyl]ethanone;ethane

C12H19NO — CID 145089346

IUPAC1-[2-(2-aminoethyl)phenyl]ethanone;ethane
SMILESCC.CC(=O)c1ccccc1CCN
InChIInChI=1S/C10H13NO.C2H6/c1-8(12)10-5-3-2-4-9(10)6-7-11;1-2/h2-5H,6-7,11H2,1H3;1-2H3
InChIKeyWDLQYGSVADIEJN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds3

About 1-[2-(2-aminoethyl)phenyl]ethanone;ethane

1-[2-(2-aminoethyl)phenyl]ethanone;ethane (PubChem CID 145089346) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]ethanone;ethane.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]ethanone;ethane
PubChem CID145089346
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[2-(2-aminoethyl)phenyl]ethanone;ethane
SMILESCC.CC(=O)c1ccccc1CCN
InChIInChI=1S/C10H13NO.C2H6/c1-8(12)10-5-3-2-4-9(10)6-7-11;1-2/h2-5H,6-7,11H2,1H3;1-2H3
InChIKeyWDLQYGSVADIEJN-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
CID 116577397
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
N,N'-bis(3-aminopropyl)butane-1,4-diamine;1-(2-ethylphenyl)ethanone
CID 177368272
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
2-(2-aminoethyl)-N-propylsulfonylbenzamide
CID 103307395
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]ethanone;ethane?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]ethanone;ethane (CID 145089346) is 1-[2-(2-aminoethyl)phenyl]ethanone;ethane.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]ethanone;ethane?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]ethanone;ethane is CC.CC(=O)c1ccccc1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]ethanone;ethane?
The InChIKey is WDLQYGSVADIEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-8(12)10-5-3-2-4-9(10)6-7-11;1-2/h2-5H,6-7,11H2,1H3;1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]ethanone;ethane?
1-[2-(2-aminoethyl)phenyl]ethanone;ethane has a molecular weight of 193.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]ethanone;ethane is sourced from PubChem (CID 145089346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).