1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone

C15H25N3O — CID 82258278

IUPAC1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
SMILESCCN(CC)CCCNCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-6-9-17-12-15(19)13-7-5-8-14(16)11-13/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3
InChIKeyBFRBGKFUBFKSSS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.77
Rot. Bonds9

About 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone

1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone (PubChem CID 82258278) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
PubChem CID82258278
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
SMILESCCN(CC)CCCNCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-6-9-17-12-15(19)13-7-5-8-14(16)11-13/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3
InChIKeyBFRBGKFUBFKSSS-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82071639
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101673
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
1-(3-bromophenyl)-2-(propylamino)ethanone
CID 82102333
1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-aminophenyl)undecan-1-one
CID 116548557
4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone (CID 82258278) is 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone is CCN(CC)CCCNCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone?
The InChIKey is BFRBGKFUBFKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18(4-2)10-6-9-17-12-15(19)13-7-5-8-14(16)11-13/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone?
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone has a molecular weight of 263.38 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone is sourced from PubChem (CID 82258278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).