(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

C163H228Br6Cl2F7N11O14 — CID 165020868

IUPAC(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
SMILESCC(C)C(=O)[C@H](CN)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CN1CCC(O)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(OC(F)(F)F)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)c(F)c1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Cl)c(Cl)c1.Cc1ccc([C@@H](CNC2CCOCC2)C(=O)C(C)C)cc1.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)cc1
InChIInChI=1S/C19H29BrN2O.C18H27NO2.C17H23BrFNO2.C17H24BrNO2.C17H22F3NO2.C17H25NO.C16H21BrFNO.C15H21BrFNO.C15H21Cl2NO.C12H15BrFNO/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;1-13(2)18(20)17(15-6-4-14(3)5-7-15)12-19-16-8-10-21-11-9-16;1-11(2)17(21)14(10-20-13-5-7-22-8-6-13)12-3-4-15(18)16(19)9-12;1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-19-9-7-15(20)8-10-19;1-11(2)16(22)15(10-21-9-12-3-4-12)13-5-7-14(8-6-13)23-17(18,19)20;1-12(2)17(19)16(11-18-10-14-6-7-14)15-8-4-13(3)5-9-15;1-10(2)16(20)13(9-19-8-11-3-4-11)12-5-6-14(17)15(18)7-12;2*1-9(2)15(19)12(8-18-10(3)4)11-5-6-13(16)14(17)7-11;1-7(2)12(16)9(6-15)8-3-4-10(13)11(14)5-8/h5-8,14-15,18H,9-13H2,1-4H3;4-7,13,16-17,19H,8-12H2,1-3H3;3-4,9,11,13-14,20H,5-8,10H2,1-2H3;3-6,12,15-16,20H,7-11H2,1-2H3;5-8,11-12,15,21H,3-4,9-10H2,1-2H3;4-5,8-9,12,14,16,18H,6-7,10-11H2,1-3H3;5-7,10-11,13,19H,3-4,8-9H2,1-2H3;2*5-7,9-10,12,18H,8H2,1-4H3;3-5,7,9H,6,15H2,1-2H3/t18-;17-;14-;16-;15-;16-;13-;2*12-;9-/m1111111111/s1
InChIKeyLDEGKIMABLBLFV-YIEKBJQISA-N
MW3249.00 g/mol
LogP35.88
Rot. Bonds61

About (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

(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 (PubChem CID 165020868) has the molecular formula C163H228Br6Cl2F7N11O14 and a molecular weight of 3249.00 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165020868
Molecular FormulaC163H228Br6Cl2F7N11O14
Molecular Weight3249.00 g/mol
Exact Mass3240.18
IUPAC Name(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
SMILESCC(C)C(=O)[C@H](CN)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CN1CCC(O)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(OC(F)(F)F)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)c(F)c1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Cl)c(Cl)c1.Cc1ccc([C@@H](CNC2CCOCC2)C(=O)C(C)C)cc1.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)cc1
InChIInChI=1S/C19H29BrN2O.C18H27NO2.C17H23BrFNO2.C17H24BrNO2.C17H22F3NO2.C17H25NO.C16H21BrFNO.C15H21BrFNO.C15H21Cl2NO.C12H15BrFNO/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;1-13(2)18(20)17(15-6-4-14(3)5-7-15)12-19-16-8-10-21-11-9-16;1-11(2)17(21)14(10-20-13-5-7-22-8-6-13)12-3-4-15(18)16(19)9-12;1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-19-9-7-15(20)8-10-19;1-11(2)16(22)15(10-21-9-12-3-4-12)13-5-7-14(8-6-13)23-17(18,19)20;1-12(2)17(19)16(11-18-10-14-6-7-14)15-8-4-13(3)5-9-15;1-10(2)16(20)13(9-19-8-11-3-4-11)12-5-6-14(17)15(18)7-12;2*1-9(2)15(19)12(8-18-10(3)4)11-5-6-13(16)14(17)7-11;1-7(2)12(16)9(6-15)8-3-4-10(13)11(14)5-8/h5-8,14-15,18H,9-13H2,1-4H3;4-7,13,16-17,19H,8-12H2,1-3H3;3-4,9,11,13-14,20H,5-8,10H2,1-2H3;3-6,12,15-16,20H,7-11H2,1-2H3;5-8,11-12,15,21H,3-4,9-10H2,1-2H3;4-5,8-9,12,14,16,18H,6-7,10-11H2,1-3H3;5-7,10-11,13,19H,3-4,8-9H2,1-2H3;2*5-7,9-10,12,18H,8H2,1-4H3;3-5,7,9H,6,15H2,1-2H3/t18-;17-;14-;16-;15-;16-;13-;2*12-;9-/m1111111111/s1
InChIKeyLDEGKIMABLBLFV-YIEKBJQISA-N
XLogP35.88
TPSA338.57 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds61
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003249.00
LogP ≤ 535.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C(=O)[C@H](CN)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CN1CCC(O)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Br)cc1.CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(Br)c(F)c1.CC(C)C(=O)[C@H](CNCC1CC1)c1ccc(OC(F)(F)F)cc1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Br)c(F)c1.CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Cl)c(Cl)c1.Cc1ccc([C@@H](CNC2CCOCC2)C(=O)C(C)C)cc1.Cc1ccc([C@@H](CNCC2CC2)C(=O)C(C)C)cc1.
What is the InChIKey of (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?
The InChIKey is LDEGKIMABLBLFV-YIEKBJQISA-N. The full InChI is InChI=1S/C19H29BrN2O.C18H27NO2.C17H23BrFNO2.C17H24BrNO2.C17H22F3NO2.C17H25NO.C16H21BrFNO.C15H21BrFNO.C15H21Cl2NO.C12H15BrFNO/c1-14(2)19(23)18(16-5-7-17(20)8-6-16)13-21-9-11-22(12-10-21)15(3)4;1-13(2)18(20)17(15-6-4-14(3)5-7-15)12-19-16-8-10-21-11-9-16;1-11(2)17(21)14(10-20-13-5-7-22-8-6-13)12-3-4-15(18)16(19)9-12;1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-19-9-7-15(20)8-10-19;1-11(2)16(22)15(10-21-9-12-3-4-12)13-5-7-14(8-6-13)23-17(18,19)20;1-12(2)17(19)16(11-18-10-14-6-7-14)15-8-4-13(3)5-9-15;1-10(2)16(20)13(9-19-8-11-3-4-11)12-5-6-14(17)15(18)7-12;2*1-9(2)15(19)12(8-18-10(3)4)11-5-6-13(16)14(17)7-11;1-7(2)12(16)9(6-15)8-3-4-10(13)11(14)5-8/h5-8,14-15,18H,9-13H2,1-4H3;4-7,13,16-17,19H,8-12H2,1-3H3;3-4,9,11,13-14,20H,5-8,10H2,1-2H3;3-6,12,15-16,20H,7-11H2,1-2H3;5-8,11-12,15,21H,3-4,9-10H2,1-2H3;4-5,8-9,12,14,16,18H,6-7,10-11H2,1-3H3;5-7,10-11,13,19H,3-4,8-9H2,1-2H3;2*5-7,9-10,12,18H,8H2,1-4H3;3-5,7,9H,6,15H2,1-2H3/t18-;17-;14-;16-;15-;16-;13-;2*12-;9-/m1111111111/s1.
What are the key properties of (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?
(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 has a molecular weight of 3249.00 g/mol, XLogP of 35.88, 61 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165020868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).