(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

C151H207BrCl10F10N10O7 — CID 158651229

IUPAC(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
SMILESC=C(C(C)C)[C@@H](CN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Br)cc1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(F)c1.C=C(C(C)C)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H30Cl2N2.2C19H25F4NO2.2C18H25Cl2NO.C18H25ClFNO.C13H18BrN.C13H17Cl2N.C13H17ClFN/c1-14(2)16(5)18(17-6-7-19(21)20(22)12-17)13-23-8-10-24(11-9-23)15(3)4;2*1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-17(16(20)10-14)26-19(21,22)23;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-8-6-15(22)7-9-21)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-9(2)10(3)13(8-15)11-4-6-12(14)7-5-11;2*1-8(2)9(3)11(7-16)10-4-5-12(14)13(15)6-10/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3;2*4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,22H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-7,9,13H,3,8,15H2,1-2H3;2*4-6,8,11H,3,7,16H2,1-2H3/t18-;2*15-;3*16-;13-;2*11-/m010010000/s1
InChIKeyIBOUTFXBZFRXJA-BMNZOVALSA-N
MW2898.79 g/mol
LogP40.88
Rot. Bonds47

About (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

(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 (PubChem CID 158651229) has the molecular formula C151H207BrCl10F10N10O7 and a molecular weight of 2898.79 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158651229
Molecular FormulaC151H207BrCl10F10N10O7
Molecular Weight2898.79 g/mol
Exact Mass2891.21
IUPAC Name(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
SMILESC=C(C(C)C)[C@@H](CN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Br)cc1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(F)c1.C=C(C(C)C)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H30Cl2N2.2C19H25F4NO2.2C18H25Cl2NO.C18H25ClFNO.C13H18BrN.C13H17Cl2N.C13H17ClFN/c1-14(2)16(5)18(17-6-7-19(21)20(22)12-17)13-23-8-10-24(11-9-23)15(3)4;2*1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-17(16(20)10-14)26-19(21,22)23;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-8-6-15(22)7-9-21)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-9(2)10(3)13(8-15)11-4-6-12(14)7-5-11;2*1-8(2)9(3)11(7-16)10-4-5-12(14)13(15)6-10/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3;2*4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,22H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-7,9,13H,3,8,15H2,1-2H3;2*4-6,8,11H,3,7,16H2,1-2H3/t18-;2*15-;3*16-;13-;2*11-/m010010000/s1
InChIKeyIBOUTFXBZFRXJA-BMNZOVALSA-N
XLogP40.88
TPSA209.61 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.79
LogP ≤ 540.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C(C)C)[C@@H](CN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Br)cc1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CN)c1ccc(Cl)c(F)c1.C=C(C(C)C)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(Cl)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of (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?
The InChIKey is IBOUTFXBZFRXJA-BMNZOVALSA-N. The full InChI is InChI=1S/C20H30Cl2N2.2C19H25F4NO2.2C18H25Cl2NO.C18H25ClFNO.C13H18BrN.C13H17Cl2N.C13H17ClFN/c1-14(2)16(5)18(17-6-7-19(21)20(22)12-17)13-23-8-10-24(11-9-23)15(3)4;2*1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-17(16(20)10-14)26-19(21,22)23;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-8-6-15(22)7-9-21)14-4-5-17(19)18(20)10-14;1-12(2)13(3)16(11-21-15-6-8-22-9-7-15)14-4-5-17(19)18(20)10-14;1-9(2)10(3)13(8-15)11-4-6-12(14)7-5-11;2*1-8(2)9(3)11(7-16)10-4-5-12(14)13(15)6-10/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3;2*4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,22H,3,6-9,11H2,1-2H3;4-5,10,12,15-16,21H,3,6-9,11H2,1-2H3;4-7,9,13H,3,8,15H2,1-2H3;2*4-6,8,11H,3,7,16H2,1-2H3/t18-;2*15-;3*16-;13-;2*11-/m010010000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2898.79 g/mol, XLogP of 40.88, 47 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158651229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).