1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one

C15H21Cl2NO — CID 43796048

IUPAC1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
SMILESCCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-5-6-9-18(3)11(2)15(19)13-8-7-12(16)10-14(13)17/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyJOOROSYSUZTNNW-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.69
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one

1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one (PubChem CID 43796048) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
PubChem CID43796048
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
SMILESCCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-5-6-9-18(3)11(2)15(19)13-8-7-12(16)10-14(13)17/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyJOOROSYSUZTNNW-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one (CID 43796048) is 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one is CCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The InChIKey is JOOROSYSUZTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-5-6-9-18(3)11(2)15(19)13-8-7-12(16)10-14(13)17/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one has a molecular weight of 302.24 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one is sourced from PubChem (CID 43796048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).