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

C10H11Cl2NO — CID 82100719

IUPAC1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(13-2)10(14)7-3-4-8(11)9(12)5-7/h3-6,13H,1-2H3
InChIKeyQMTDOZQOSLOSTN-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.78
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one (PubChem CID 82100719) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one
PubChem CID82100719
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(13-2)10(14)7-3-4-8(11)9(12)5-7/h3-6,13H,1-2H3
InChIKeyQMTDOZQOSLOSTN-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.78
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-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one (CID 82100719) is 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one?
The InChIKey is QMTDOZQOSLOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6(13-2)10(14)7-3-4-8(11)9(12)5-7/h3-6,13H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one?
1-(3,4-dichlorophenyl)-2-(methylamino)propan-1-one has a molecular weight of 232.11 g/mol, XLogP of 2.78, 3 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-(methylamino)propan-1-one is sourced from PubChem (CID 82100719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).