1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone

C15H23FN2O — CID 103189335

IUPAC1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
SMILESCCN(c1cccc(F)c1C(C)=O)C(C)CN(C)C
InChIInChI=1S/C15H23FN2O/c1-6-18(11(2)10-17(4)5)14-9-7-8-13(16)15(14)12(3)19/h7-9,11H,6,10H2,1-5H3
InChIKeyXSSZKHXAFXFTKJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone

1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone (PubChem CID 103189335) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
PubChem CID103189335
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
SMILESCCN(c1cccc(F)c1C(C)=O)C(C)CN(C)C
InChIInChI=1S/C15H23FN2O/c1-6-18(11(2)10-17(4)5)14-9-7-8-13(16)15(14)12(3)19/h7-9,11H,6,10H2,1-5H3
InChIKeyXSSZKHXAFXFTKJ-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[1-(dimethylamino)propan-2-yl-ethylamino]benzoic acid
CID 103189642
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
CID 103188867
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
CID 60678476
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
1-(2,6-difluorophenyl)-2-[(dimethylamino)methyl]butan-1-one
CID 67667335
2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 79511953
methyl 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]benzoate
CID 103190547
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
CID 86818346
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 103192488
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone (CID 103189335) is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone is CCN(c1cccc(F)c1C(C)=O)C(C)CN(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone?
The InChIKey is XSSZKHXAFXFTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-6-18(11(2)10-17(4)5)14-9-7-8-13(16)15(14)12(3)19/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone?
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone has a molecular weight of 266.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 103189335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).