1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone

C12H17NO — CID 143344931

IUPAC1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
SMILESCCc1ccc(CCN)c(C(C)=O)c1
InChIInChI=1S/C12H17NO/c1-3-10-4-5-11(6-7-13)12(8-10)9(2)14/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyQOLGFHMPPMBLOZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone

1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone (PubChem CID 143344931) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
PubChem CID143344931
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
SMILESCCc1ccc(CCN)c(C(C)=O)c1
InChIInChI=1S/C12H17NO/c1-3-10-4-5-11(6-7-13)12(8-10)9(2)14/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyQOLGFHMPPMBLOZ-UHFFFAOYSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone (CID 143344931) is 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone is CCc1ccc(CCN)c(C(C)=O)c1.
What is the InChIKey of 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone?
The InChIKey is QOLGFHMPPMBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-4-5-11(6-7-13)12(8-10)9(2)14/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone?
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone has a molecular weight of 191.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone is sourced from PubChem (CID 143344931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).