1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one

C11H13Cl2NO — CID 82100713

IUPAC1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-3-14-7(2)11(15)8-4-5-9(12)10(13)6-8/h4-7,14H,3H2,1-2H3
InChIKeyBIYFBWRLDKOYMU-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.17
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one

1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one (PubChem CID 82100713) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one
PubChem CID82100713
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-3-14-7(2)11(15)8-4-5-9(12)10(13)6-8/h4-7,14H,3H2,1-2H3
InChIKeyBIYFBWRLDKOYMU-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one (CID 82100713) is 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one?
The InChIKey is BIYFBWRLDKOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-14-7(2)11(15)8-4-5-9(12)10(13)6-8/h4-7,14H,3H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one?
1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one has a molecular weight of 246.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 82100713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).