1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one

C17H25FN2O — CID 105415832

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
SMILESCN(CC(=O)Cc1ccc(F)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H25FN2O/c1-19(2)17(9-4-10-17)13-20(3)12-16(21)11-14-5-7-15(18)8-6-14/h5-8H,4,9-13H2,1-3H3
InChIKeyYXKLIAXJGNFCSA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.35
Rot. Bonds7

About 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one (PubChem CID 105415832) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
PubChem CID105415832
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
SMILESCN(CC(=O)Cc1ccc(F)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H25FN2O/c1-19(2)17(9-4-10-17)13-20(3)12-16(21)11-14-5-7-15(18)8-6-14/h5-8H,4,9-13H2,1-3H3
InChIKeyYXKLIAXJGNFCSA-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 105415757
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
CID 112661956
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-2-one
CID 114237478
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 63955214
2-[cyanomethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]acetonitrile
CID 62051345

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one (CID 105415832) is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one is CN(CC(=O)Cc1ccc(F)cc1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one?
The InChIKey is YXKLIAXJGNFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19(2)17(9-4-10-17)13-20(3)12-16(21)11-14-5-7-15(18)8-6-14/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one?
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one has a molecular weight of 292.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 105415832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).