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

C15H20FNO2 — CID 114950412

IUPAC1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H20FNO2/c1-17(11-15(19)8-2-3-9-15)10-14(18)12-4-6-13(16)7-5-12/h4-7,19H,2-3,8-11H2,1H3
InChIKeyGXHWLKVSLYXQTB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.25
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (PubChem CID 114950412) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
PubChem CID114950412
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H20FNO2/c1-17(11-15(19)8-2-3-9-15)10-14(18)12-4-6-13(16)7-5-12/h4-7,19H,2-3,8-11H2,1H3
InChIKeyGXHWLKVSLYXQTB-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 105415757
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
1-(2,4-difluorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950493
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
CID 114065864
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (CID 114950412) is 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is CN(CC(=O)c1ccc(F)cc1)CC1(O)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The InChIKey is GXHWLKVSLYXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(11-15(19)8-2-3-9-15)10-14(18)12-4-6-13(16)7-5-12/h4-7,19H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is sourced from PubChem (CID 114950412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).