(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one

C157H222Br4Cl5F7N12O11 — CID 165005830

IUPAC(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(CN1CC[C@@H](N(C)C)[C@@H](F)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCC(O)CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN(C)C(C)C)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN)c1ccc(Br)cc1F.CC(C)C(=O)[C@H](CN)c1ccc(Cl)cc1F.CC(C)C(=O)[C@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1F.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)c(F)c1
InChIInChI=1S/C19H28ClFN2O.C17H23BrFNO2.C17H24ClFN2O.C17H24FNO.C16H24BrNO.2C16H24ClNO.C15H21BrFNO.C12H15BrFNO.C12H15ClFNO/c1-13(2)19(24)16(14-5-7-15(20)8-6-14)11-23-10-9-18(22(3)4)17(21)12-23;1-11(2)17(22)14(10-20-7-5-13(21)6-8-20)12-3-4-15(18)16(19)9-12;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-11(2)17(20)15(10-19-9-13-5-6-13)14-7-4-12(3)8-16(14)18;1-11(2)16(19)15(10-18(5)12(3)4)13-6-8-14(17)9-7-13;2*1-11(2)15(19)14(10-18-16(3,4)5)12-6-8-13(17)9-7-12;1-9(2)15(19)13(8-18-10(3)4)12-6-5-11(16)7-14(12)17;2*1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h5-8,13,16-18H,9-12H2,1-4H3;3-4,9,11,13-14,21H,5-8,10H2,1-2H3;4-5,10,12,14H,6-9,11H2,1-3H3;4,7-8,11,13,15,19H,5-6,9-10H2,1-3H3;6-9,11-12,15H,10H2,1-5H3;2*6-9,11,14,18H,10H2,1-5H3;5-7,9-10,13,18H,8H2,1-4H3;2*3-5,7,10H,6,15H2,1-2H3/t16?,17-,18+;2*14-;2*15-;2*14-;13-;2*10-/m0011110111/s1
InChIKeyIYFKVIWYKVRMNS-UDWUONCCSA-N
MW3083.44 g/mol
LogP35.12
Rot. Bonds53

About (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one

(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one (PubChem CID 165005830) has the molecular formula C157H222Br4Cl5F7N12O11 and a molecular weight of 3083.44 g/mol. Its IUPAC name is (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one
PubChem CID165005830
Molecular FormulaC157H222Br4Cl5F7N12O11
Molecular Weight3083.44 g/mol
Exact Mass3075.22
IUPAC Name(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(CN1CC[C@@H](N(C)C)[C@@H](F)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCC(O)CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN(C)C(C)C)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN)c1ccc(Br)cc1F.CC(C)C(=O)[C@H](CN)c1ccc(Cl)cc1F.CC(C)C(=O)[C@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1F.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)c(F)c1
InChIInChI=1S/C19H28ClFN2O.C17H23BrFNO2.C17H24ClFN2O.C17H24FNO.C16H24BrNO.2C16H24ClNO.C15H21BrFNO.C12H15BrFNO.C12H15ClFNO/c1-13(2)19(24)16(14-5-7-15(20)8-6-14)11-23-10-9-18(22(3)4)17(21)12-23;1-11(2)17(22)14(10-20-7-5-13(21)6-8-20)12-3-4-15(18)16(19)9-12;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-11(2)17(20)15(10-19-9-13-5-6-13)14-7-4-12(3)8-16(14)18;1-11(2)16(19)15(10-18(5)12(3)4)13-6-8-14(17)9-7-13;2*1-11(2)15(19)14(10-18-16(3,4)5)12-6-8-13(17)9-7-12;1-9(2)15(19)13(8-18-10(3)4)12-6-5-11(16)7-14(12)17;2*1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h5-8,13,16-18H,9-12H2,1-4H3;3-4,9,11,13-14,21H,5-8,10H2,1-2H3;4-5,10,12,14H,6-9,11H2,1-3H3;4,7-8,11,13,15,19H,5-6,9-10H2,1-3H3;6-9,11-12,15H,10H2,1-5H3;2*6-9,11,14,18H,10H2,1-5H3;5-7,9-10,13,18H,8H2,1-4H3;2*3-5,7,10H,6,15H2,1-2H3/t16?,17-,18+;2*14-;2*15-;2*14-;13-;2*10-/m0011110111/s1
InChIKeyIYFKVIWYKVRMNS-UDWUONCCSA-N
XLogP35.12
TPSA310.53 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003083.44
LogP ≤ 535.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one with MolForge

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Related Compounds

(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-4-methyl-2-(4-methylphenyl)pentan-3-one;(2S)-2-(4-chloro-2-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one
CID 159824925
(2S)-1-amino-2-(4-bromo-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromo-3-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-1-(cyclopropylmethylamino)-4-methyl-2-(4-methylphenyl)pentan-3-one;(2S)-1-(cyclopropylmethylamino)-4-methyl-2-[4-(trifluoromethoxy)phenyl]pentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-4-methyl-2-(4-methylphenyl)-1-(oxan-4-ylamino)pentan-3-one
CID 165020868
(2S)-1-amino-2-(4-bromophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2R)-2-(3,4-dichlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
CID 159315208
(2S)-1-amino-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;2-(4-bromophenyl)-4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one;2-(4-chlorophenyl)-4,4-dimethyl-1-[methyl(propan-2-yl)amino]pentan-3-one;2-(4-chlorophenyl)-1-(ethylamino)-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-one;2-(4-chlorophenyl)-1-(2-hydroxyethylamino)-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-1-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4,4-dimethylpentan-3-one;4-(4-chlorophenyl)-2-methyl-6-(4-methylcyclohexyl)hexan-3-one
CID 159385728
(2S)-2-(4-bromo-3-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;2-(4-bromo-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-N,N-bis(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine;N-[(2S)-2-(4-bromophenyl)-4-methyl-3-oxopentyl]formamide;(2S)-2-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;bis((2R)-2-(3,4-dichlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one)
CID 157406965
1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one
CID 159850262
1-amino-2-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-1-(ethylamino)-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-4,4-dimethylpentan-3-one;2-(4-chlorophenyl)-4-methyl-1-(pyridin-3-ylmethylamino)pentan-3-one;1-[3-(4-chlorophenyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one;1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one;2-(4-fluorophenyl)-4,4-dimethyl-1-(methylamino)pentan-3-one;bis(4-methyl-2-(4-methylphenyl)-1-(propan-2-ylamino)pentan-3-one)
CID 158352512
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidenepentan-1-amine;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentan-1-amine;N-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;(2S)-2-(3,4-dichlorophenyl)-4-methyl-3-methylidenepentan-1-amine;N-[(2S)-2-(3,4-dichlorophenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;1-[(2R)-2-(3,4-dichlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol;1-[(2S)-2-(3,4-dichlorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one
CID 158651229
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671063
(2R)-2-(4-chloro-3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 67518942
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 71133249
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one?
The IUPAC name of (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one (CID 165005830) is (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one.
What is the SMILES notation for (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one?
The canonical SMILES for (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one is CC(C)C(=O)C(CN1CC[C@@H](N(C)C)[C@@H](F)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCC(O)CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN(C)C(C)C)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN)c1ccc(Br)cc1F.CC(C)C(=O)[C@H](CN)c1ccc(Cl)cc1F.CC(C)C(=O)[C@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@H](CNC(C)(C)C)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)cc1F.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)c(F)c1.
What is the InChIKey of (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one?
The InChIKey is IYFKVIWYKVRMNS-UDWUONCCSA-N. The full InChI is InChI=1S/C19H28ClFN2O.C17H23BrFNO2.C17H24ClFN2O.C17H24FNO.C16H24BrNO.2C16H24ClNO.C15H21BrFNO.C12H15BrFNO.C12H15ClFNO/c1-13(2)19(24)16(14-5-7-15(20)8-6-14)11-23-10-9-18(22(3)4)17(21)12-23;1-11(2)17(22)14(10-20-7-5-13(21)6-8-20)12-3-4-15(18)16(19)9-12;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-11(2)17(20)15(10-19-9-13-5-6-13)14-7-4-12(3)8-16(14)18;1-11(2)16(19)15(10-18(5)12(3)4)13-6-8-14(17)9-7-13;2*1-11(2)15(19)14(10-18-16(3,4)5)12-6-8-13(17)9-7-12;1-9(2)15(19)13(8-18-10(3)4)12-6-5-11(16)7-14(12)17;2*1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h5-8,13,16-18H,9-12H2,1-4H3;3-4,9,11,13-14,21H,5-8,10H2,1-2H3;4-5,10,12,14H,6-9,11H2,1-3H3;4,7-8,11,13,15,19H,5-6,9-10H2,1-3H3;6-9,11-12,15H,10H2,1-5H3;2*6-9,11,14,18H,10H2,1-5H3;5-7,9-10,13,18H,8H2,1-4H3;2*3-5,7,10H,6,15H2,1-2H3/t16?,17-,18+;2*14-;2*15-;2*14-;13-;2*10-/m0011110111/s1.
What are the key properties of (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one?
(2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one has a molecular weight of 3083.44 g/mol, XLogP of 35.12, 53 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one;(2S)-1-amino-2-(4-chloro-2-fluorophenyl)-4-methylpentan-3-one;(2R)-2-(4-bromo-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-bromophenyl)-4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;(2S)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-(tert-butylamino)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;2-(4-chlorophenyl)-1-[(3S,4R)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-4-methylpentan-3-one;(2S)-1-(cyclopropylmethylamino)-2-(2-fluoro-4-methylphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 165005830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).