2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone

C16H26N2O — CID 82101362

IUPAC2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CNCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-6-8-15(9-7-14)16(19)12-17-10-5-11-18(3)4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyZCXLUEBQISYLJL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone

2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 82101362) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID82101362
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CNCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-6-8-15(9-7-14)16(19)12-17-10-5-11-18(3)4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyZCXLUEBQISYLJL-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
N-[2-(dimethylamino)ethyl]-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94274700
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone (CID 82101362) is 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CNCCCN(C)C)cc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is ZCXLUEBQISYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)14-6-8-15(9-7-14)16(19)12-17-10-5-11-18(3)4/h6-9,13,17H,5,10-12H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone?
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82101362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).