2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone

C16H23FN2O — CID 105415757

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H23FN2O/c1-18(2)16(9-4-10-16)12-19(3)11-15(20)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyAIPJZGKJSOCSBZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.42
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone (PubChem CID 105415757) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
PubChem CID105415757
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H23FN2O/c1-18(2)16(9-4-10-16)12-19(3)11-15(20)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyAIPJZGKJSOCSBZ-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone (CID 105415757) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The InChIKey is AIPJZGKJSOCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18(2)16(9-4-10-16)12-19(3)11-15(20)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 105415757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).