2-amino-1-[2-(diethylamino)phenyl]ethanone

C12H18N2O — CID 83820084

IUPAC2-amino-1-[2-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccccc1C(=O)CN
InChIInChI=1S/C12H18N2O/c1-3-14(4-2)11-8-6-5-7-10(11)12(15)9-13/h5-8H,3-4,9,13H2,1-2H3
InChIKeyYLKFUJWKYZESHD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.67
Rot. Bonds5

About 2-amino-1-[2-(diethylamino)phenyl]ethanone

2-amino-1-[2-(diethylamino)phenyl]ethanone (PubChem CID 83820084) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-1-[2-(diethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(diethylamino)phenyl]ethanone
PubChem CID83820084
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-1-[2-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccccc1C(=O)CN
InChIInChI=1S/C12H18N2O/c1-3-14(4-2)11-8-6-5-7-10(11)12(15)9-13/h5-8H,3-4,9,13H2,1-2H3
InChIKeyYLKFUJWKYZESHD-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(diethylamino)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(diethylamino)phenyl]ethanone (CID 83820084) is 2-amino-1-[2-(diethylamino)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(diethylamino)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(diethylamino)phenyl]ethanone is CCN(CC)c1ccccc1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-(diethylamino)phenyl]ethanone?
The InChIKey is YLKFUJWKYZESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14(4-2)11-8-6-5-7-10(11)12(15)9-13/h5-8H,3-4,9,13H2,1-2H3.
What are the key properties of 2-amino-1-[2-(diethylamino)phenyl]ethanone?
2-amino-1-[2-(diethylamino)phenyl]ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(diethylamino)phenyl]ethanone is sourced from PubChem (CID 83820084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).