N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine

C144H213F7N8O4 — CID 162159230

IUPACN-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1ccc(CN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CN2CCC(F)(F)CC2)cc1.CC(C)c1ccc(CN2CCCC2C(F)(F)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NC2CCC2)cc1.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NCC2CCOC2)cc1.CC(C)c1ccc(OC2CCCC2)cc1.CCC(O)(CC)CCc1ccc(C(C)C)cc1.CCN(Cc1ccc(C(C)C)cc1)C1CCOC1C
InChIInChI=1S/C17H27NO.C16H26O.C15H20F3N.C15H21F2N.C15H23N.C14H19F2N.C14H21NO.C14H20O.C13H19N.C11H17N/c1-5-18(17-10-11-19-14(17)4)12-15-6-8-16(9-7-15)13(2)3;1-5-16(17,6-2)12-11-14-7-9-15(10-8-14)13(3)4;1-11(2)13-7-5-12(6-8-13)10-19-9-3-4-14(19)15(16,17)18;1-12(2)14-5-3-13(4-6-14)11-18-9-7-15(16,17)8-10-18;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11(2)13-5-3-12(4-6-13)9-17-8-7-14(15,16)10-17;1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12;1-11(2)12-7-9-14(10-8-12)15-13-5-3-4-6-13;1-10(2)11-6-8-13(9-7-11)14-12-4-3-5-12;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9,13-14,17H,5,10-12H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;5-8,11,14H,3-4,9-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;5-9H,1-4H3
InChIKeyZMGCPVPAQOIBFM-UHFFFAOYSA-N
MW2253.33 g/mol
LogP38.73
Rot. Bonds35

About N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine

N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine (PubChem CID 162159230) has the molecular formula C144H213F7N8O4 and a molecular weight of 2253.33 g/mol. Its IUPAC name is N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound NameN-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
PubChem CID162159230
Molecular FormulaC144H213F7N8O4
Molecular Weight2253.33 g/mol
Exact Mass2251.66
IUPAC NameN-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1ccc(CN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CN2CCC(F)(F)CC2)cc1.CC(C)c1ccc(CN2CCCC2C(F)(F)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NC2CCC2)cc1.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NCC2CCOC2)cc1.CC(C)c1ccc(OC2CCCC2)cc1.CCC(O)(CC)CCc1ccc(C(C)C)cc1.CCN(Cc1ccc(C(C)C)cc1)C1CCOC1C
InChIInChI=1S/C17H27NO.C16H26O.C15H20F3N.C15H21F2N.C15H23N.C14H19F2N.C14H21NO.C14H20O.C13H19N.C11H17N/c1-5-18(17-10-11-19-14(17)4)12-15-6-8-16(9-7-15)13(2)3;1-5-16(17,6-2)12-11-14-7-9-15(10-8-14)13(3)4;1-11(2)13-7-5-12(6-8-13)10-19-9-3-4-14(19)15(16,17)18;1-12(2)14-5-3-13(4-6-14)11-18-9-7-15(16,17)8-10-18;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11(2)13-5-3-12(4-6-13)9-17-8-7-14(15,16)10-17;1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12;1-11(2)12-7-9-14(10-8-12)15-13-5-3-4-6-13;1-10(2)11-6-8-13(9-7-11)14-12-4-3-5-12;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9,13-14,17H,5,10-12H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;5-8,11,14H,3-4,9-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;5-9H,1-4H3
InChIKeyZMGCPVPAQOIBFM-UHFFFAOYSA-N
XLogP38.73
TPSA100.21 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.33
LogP ≤ 538.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine with MolForge

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Related Compounds

N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline
CID 157939070
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;2-methyl-N-(4-propan-2-ylphenyl)oxolan-3-amine;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 158018354
N-cyclobutyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;2-methyl-N-(4-propan-2-ylphenyl)oxolan-3-amine;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 158951320
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4,4-difluoro-N-(4-propan-2-ylphenyl)piperidin-1-amine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline
CID 159151355
(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine
CID 159365436
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline
CID 160406699
N-[(4-fluorophenyl)methyl]-4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]aniline;4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 160778104
4-[(Z)-1-[4-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2-azaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperidin-1-ylphenyl)pent-4-en-1-ol
CID 158902462
(Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperidin-1-ylphenyl)pent-4-en-1-ol
CID 161960422

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine (CID 162159230) is N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine is CC(C)c1ccc(CN2CCC(F)(F)C2)cc1.CC(C)c1ccc(CN2CCC(F)(F)CC2)cc1.CC(C)c1ccc(CN2CCCC2C(F)(F)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NC2CCC2)cc1.CC(C)c1ccc(NC2CCCCC2)cc1.CC(C)c1ccc(NCC2CCOC2)cc1.CC(C)c1ccc(OC2CCCC2)cc1.CCC(O)(CC)CCc1ccc(C(C)C)cc1.CCN(Cc1ccc(C(C)C)cc1)C1CCOC1C.
What is the InChIKey of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine?
The InChIKey is ZMGCPVPAQOIBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C16H26O.C15H20F3N.C15H21F2N.C15H23N.C14H19F2N.C14H21NO.C14H20O.C13H19N.C11H17N/c1-5-18(17-10-11-19-14(17)4)12-15-6-8-16(9-7-15)13(2)3;1-5-16(17,6-2)12-11-14-7-9-15(10-8-14)13(3)4;1-11(2)13-7-5-12(6-8-13)10-19-9-3-4-14(19)15(16,17)18;1-12(2)14-5-3-13(4-6-14)11-18-9-7-15(16,17)8-10-18;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11(2)13-5-3-12(4-6-13)9-17-8-7-14(15,16)10-17;1-11(2)13-3-5-14(6-4-13)15-9-12-7-8-16-10-12;1-11(2)12-7-9-14(10-8-12)15-13-5-3-4-6-13;1-10(2)11-6-8-13(9-7-11)14-12-4-3-5-12;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9,13-14,17H,5,10-12H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;5-8,11,14H,3-4,9-10H2,1-2H3;3-6,12H,7-11H2,1-2H3;8-12,14,16H,3-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;5-9H,1-4H3.
What are the key properties of N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine?
N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine has a molecular weight of 2253.33 g/mol, XLogP of 38.73, 35 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-propan-2-ylaniline;N-cyclohexyl-4-propan-2-ylaniline;1-cyclopentyloxy-4-propan-2-ylbenzene;4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]piperidine;3,3-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;N,N-dimethyl-4-propan-2-ylaniline;N-ethyl-2-methyl-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine;3-ethyl-1-(4-propan-2-ylphenyl)pentan-3-ol;N-(oxolan-3-ylmethyl)-4-propan-2-ylaniline;1-[(4-propan-2-ylphenyl)methyl]-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 162159230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).