(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one

C133H174Cl3F7IN11O12 — CID 158157196

About (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one

(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one (PubChem CID 158157196) has the molecular formula C133H174Cl3F7IN11O12 and a molecular weight of 2485.17 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one.

Molecular Properties

• Compound Name: (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one
• PubChem CID: 158157196
• Molecular Formula: C133H174Cl3F7IN11O12
• Molecular Weight: 2485.17 g/mol
• Exact Mass: 2482.13
• IUPAC Name: (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one
• SMILES: CC(C)(C)C(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)[C@@H](N)Cc1ccc(Cl)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1.CC(C)C(=O)[C@H](N)Cc1ccc(Cl)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(F)c(F)c1.CC(C)C(=O)[C@H](N)Cc1ccc(F)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(I)cc1.CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)C.COc1ccc(C[C@@H](N)C(=O)C(C)C)cc1.[C-]#[N+]c1ccc(C[C@@H](N)C(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C20H25NO2.C14H18F3NO.C14H18N2O.C13H19NO2.C12H15ClFNO.2C12H16ClNO.C12H15F2NO.C12H16FNO.C12H16INO/c1-15(2)20(22)19(21-3)13-16-9-11-18(12-10-16)23-14-17-7-5-4-6-8-17;1-13(2,3)12(19)11(18)8-9-4-6-10(7-5-9)14(15,16)17;1-14(2,3)13(17)12(15)9-10-5-7-11(16-4)8-6-10;1-9(2)13(15)12(14)8-10-4-6-11(16-3)7-5-10;1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8;2*1-8(2)12(15)11(14)7-9-3-5-10(13)6-4-9;1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8;2*1-8(2)12(15)11(14)7-9-3-5-10(13)6-4-9/h4-12,15,19,21H,13-14H2,1-3H3;4-7,11H,8,18H2,1-3H3;5-8,12H,9,15H2,1-3H3;4-7,9,12H,8,14H2,1-3H3;3-5,7,11H,6,15H2,1-2H3;2*3-6,8,11H,7,14H2,1-2H3;3-5,7,11H,6,15H2,1-2H3;2*3-6,8,11H,7,14H2,1-2H3/t19-;11-;2*12-;6*11-/m1111110111/s1
• InChIKey: FVVJEZSNROJTPG-RKABCGIESA-N
• XLogP: 25.13
• TPSA: 439.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.17
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one?

The IUPAC name of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one (CID 158157196) is (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one.

What is the SMILES notation for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one?

The canonical SMILES for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one is CC(C)(C)C(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)[C@@H](N)Cc1ccc(Cl)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1.CC(C)C(=O)[C@H](N)Cc1ccc(Cl)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(F)c(F)c1.CC(C)C(=O)[C@H](N)Cc1ccc(F)cc1.CC(C)C(=O)[C@H](N)Cc1ccc(I)cc1.CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)C.COc1ccc(C[C@@H](N)C(=O)C(C)C)cc1.[C-]#[N+]c1ccc(C[C@@H](N)C(=O)C(C)(C)C)cc1.

What is the InChIKey of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one?

The InChIKey is FVVJEZSNROJTPG-RKABCGIESA-N. The full InChI is InChI=1S/C20H25NO2.C14H18F3NO.C14H18N2O.C13H19NO2.C12H15ClFNO.2C12H16ClNO.C12H15F2NO.C12H16FNO.C12H16INO/c1-15(2)20(22)19(21-3)13-16-9-11-18(12-10-16)23-14-17-7-5-4-6-8-17;1-13(2,3)12(19)11(18)8-9-4-6-10(7-5-9)14(15,16)17;1-14(2,3)13(17)12(15)9-10-5-7-11(16-4)8-6-10;1-9(2)13(15)12(14)8-10-4-6-11(16-3)7-5-10;1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8;2*1-8(2)12(15)11(14)7-9-3-5-10(13)6-4-9;1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8;2*1-8(2)12(15)11(14)7-9-3-5-10(13)6-4-9/h4-12,15,19,21H,13-14H2,1-3H3;4-7,11H,8,18H2,1-3H3;5-8,12H,9,15H2,1-3H3;4-7,9,12H,8,14H2,1-3H3;3-5,7,11H,6,15H2,1-2H3;2*3-6,8,11H,7,14H2,1-2H3;3-5,7,11H,6,15H2,1-2H3;2*3-6,8,11H,7,14H2,1-2H3/t19-;11-;2*12-;6*11-/m1111110111/s1.

What are the key properties of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one?

(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one has a molecular weight of 2485.17 g/mol, XLogP of 25.13, 43 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(3,4-difluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one;(2R)-2-amino-1-(4-fluorophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-iodophenyl)-4-methylpentan-3-one;(2R)-2-amino-1-(4-isocyanophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-methoxyphenyl)-4-methylpentan-3-one;(2R)-4-methyl-2-(methylamino)-1-(4-phenylmethoxyphenyl)pentan-3-one is sourced from PubChem (CID 158157196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).