1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone

C17H29N3O — CID 102991273

IUPAC1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
SMILESCCN(CC)CCCN(CC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C17H29N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)21)17(18)13-15/h9-10,13H,5-8,11-12,18H2,1-4H3
InChIKeyPDQMXSYNBNNKAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.03
Rot. Bonds9

About 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone

1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone (PubChem CID 102991273) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
PubChem CID102991273
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
SMILESCCN(CC)CCCN(CC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C17H29N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)21)17(18)13-15/h9-10,13H,5-8,11-12,18H2,1-4H3
InChIKeyPDQMXSYNBNNKAZ-UHFFFAOYSA-N
XLogP3.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.03
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

2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702
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-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzenecarbothioamide
CID 102993428
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
CID 102994161
3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone (CID 102991273) is 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone is CCN(CC)CCCN(CC)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone?
The InChIKey is PDQMXSYNBNNKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)21)17(18)13-15/h9-10,13H,5-8,11-12,18H2,1-4H3.
What are the key properties of 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone?
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone has a molecular weight of 291.44 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone is sourced from PubChem (CID 102991273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).