1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone

C15H25N3O — CID 104528702

IUPAC1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
SMILESCCCN(CCN(C)C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H25N3O/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)19)15(16)11-13/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyDMHYJPOXTAKOBQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds7

About 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone

1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone (PubChem CID 104528702) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
PubChem CID104528702
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
SMILESCCCN(CCN(C)C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H25N3O/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)19)15(16)11-13/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyDMHYJPOXTAKOBQ-UHFFFAOYSA-N
XLogP2.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzoic acid
CID 104500469
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
2-amino-4-[[2-(methylamino)-2-oxoethyl]-propylamino]benzoic acid
CID 104500433
1-[2-amino-4-[3-(dimethylamino)propylamino]phenyl]ethanone
CID 104528251
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone (CID 104528702) is 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone is CCCN(CCN(C)C)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone?
The InChIKey is DMHYJPOXTAKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-8-18(10-9-17(3)4)13-6-7-14(12(2)19)15(16)11-13/h6-7,11H,5,8-10,16H2,1-4H3.
What are the key properties of 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone?
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone is sourced from PubChem (CID 104528702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).