1-phenyl-2-[2-(propylamino)ethylamino]ethanone

C13H20N2O — CID 69282743

IUPAC1-phenyl-2-[2-(propylamino)ethylamino]ethanone
SMILESCCCNCCNCC(=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-8-14-9-10-15-11-13(16)12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3
InChIKeyGMTUPCSNMPXTQR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.46
Rot. Bonds8

About 1-phenyl-2-[2-(propylamino)ethylamino]ethanone

1-phenyl-2-[2-(propylamino)ethylamino]ethanone (PubChem CID 69282743) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-phenyl-2-[2-(propylamino)ethylamino]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[2-(propylamino)ethylamino]ethanone
PubChem CID69282743
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-phenyl-2-[2-(propylamino)ethylamino]ethanone
SMILESCCCNCCNCC(=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-8-14-9-10-15-11-13(16)12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3
InChIKeyGMTUPCSNMPXTQR-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexylamino)-1-phenylethanone
CID 82101185
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
1-(3-bromophenyl)-2-(propylamino)ethanone
CID 82102333
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
2-(aminomethylamino)-1-phenylethanone
CID 59627873
(2R)-2-methyl-5-(phenacylamino)pentanoic acid
CID 118133420
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
benzenecarbodithioic acid;N-propylpropan-1-amine
CID 71406753
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(propylamino)ethylamino]ethanone?
The IUPAC name of 1-phenyl-2-[2-(propylamino)ethylamino]ethanone (CID 69282743) is 1-phenyl-2-[2-(propylamino)ethylamino]ethanone.
What is the SMILES notation for 1-phenyl-2-[2-(propylamino)ethylamino]ethanone?
The canonical SMILES for 1-phenyl-2-[2-(propylamino)ethylamino]ethanone is CCCNCCNCC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(propylamino)ethylamino]ethanone?
The InChIKey is GMTUPCSNMPXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-8-14-9-10-15-11-13(16)12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3.
What are the key properties of 1-phenyl-2-[2-(propylamino)ethylamino]ethanone?
1-phenyl-2-[2-(propylamino)ethylamino]ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(propylamino)ethylamino]ethanone is sourced from PubChem (CID 69282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).