1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline

C198H287ClF13N15O5 — CID 159054769

IUPAC1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
SMILESCC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(N2CC3CC3C2)c1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(NC(=O)C2CC2)c1.CC(C)(C)c1ccc(F)c(NCC2CC2)c1.CCCN(C)c1cc(C(C)(C)C)ccc1F.CCCNc1cc(C(C)(C)C)ccc1F.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1
InChIInChI=1S/C16H24FNO.C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.2C13H20FN.C12H18FN/c1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-15(2,3)12-4-5-13(16)14(7-12)17-8-10-6-11(10)9-17;1-15(2,3)12-7-8-13(16)14(9-12)17(4)10-11-5-6-11;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)10-6-7-11(15)12(8-10)16-13(17)9-4-5-9;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-6-9-16(5)13-10-11(14(2,3)4)7-8-12(13)15;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/h7-8,10,13H,5-6,9,11H2,1-4H3;5-6,11H,7-10H2,1-4H3;7-10H,5-6H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9H,4-5H2,1-3H3,(H,16,17);6-8,10,16H,4-5,9H2,1-3H3;7-8,10H,6,9H2,1-5H3;7-9H,6H2,1-5H3;6-7,9,15H,5,8H2,1-4H3;6-8,14H,5H2,1-4H3/t13-;;;;;;;;;;;;;/m1............./s1
InChIKeyJXSHJMULEXXMOV-LLCYEEIVSA-N
MW3240.00 g/mol
LogP49.90
Rot. Bonds30

About 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline

1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline (PubChem CID 159054769) has the molecular formula C198H287ClF13N15O5 and a molecular weight of 3240.00 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline.

Molecular Properties

Compound Name1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
PubChem CID159054769
Molecular FormulaC198H287ClF13N15O5
Molecular Weight3240.00 g/mol
Exact Mass3237.21
IUPAC Name1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
SMILESCC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(N2CC3CC3C2)c1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(NC(=O)C2CC2)c1.CC(C)(C)c1ccc(F)c(NCC2CC2)c1.CCCN(C)c1cc(C(C)(C)C)ccc1F.CCCNc1cc(C(C)(C)C)ccc1F.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1
InChIInChI=1S/C16H24FNO.C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.2C13H20FN.C12H18FN/c1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-15(2,3)12-4-5-13(16)14(7-12)17-8-10-6-11(10)9-17;1-15(2,3)12-7-8-13(16)14(9-12)17(4)10-11-5-6-11;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)10-6-7-11(15)12(8-10)16-13(17)9-4-5-9;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-6-9-16(5)13-10-11(14(2,3)4)7-8-12(13)15;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/h7-8,10,13H,5-6,9,11H2,1-4H3;5-6,11H,7-10H2,1-4H3;7-10H,5-6H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9H,4-5H2,1-3H3,(H,16,17);6-8,10,16H,4-5,9H2,1-3H3;7-8,10H,6,9H2,1-5H3;7-9H,6H2,1-5H3;6-7,9,15H,5,8H2,1-4H3;6-8,14H,5H2,1-4H3/t13-;;;;;;;;;;;;;/m1............./s1
InChIKeyJXSHJMULEXXMOV-LLCYEEIVSA-N
XLogP49.90
TPSA154.38 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.00
LogP ≤ 549.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline with MolForge

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Related Compounds

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158167226
1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 161193539
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine
CID 158798156
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine
CID 158931321
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 158996079
(3-tert-butyl-5-chlorophenyl) cyclopropanecarboxylate;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 159084316
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 159433115
5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 159557245
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;4-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]morpholine
CID 159934793
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 160899973
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;3-tert-butyl-N-(cyclopropylmethyl)-5-fluoroaniline;1-tert-butyl-3-(1,1-dideuteriopropoxy)-5-fluorobenzene;1-[2-(5-tert-butyl-2-fluorophenoxy)ethyl]piperidine;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 161022741
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;1-tert-butyl-3-[cyclopropyl(dideuterio)methoxy]-5-fluorobenzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine
CID 162025958

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline?
The IUPAC name of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline (CID 159054769) is 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline.
What is the SMILES notation for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline?
The canonical SMILES for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline is CC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(N2CC3CC3C2)c1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(F)c(NC(=O)C2CC2)c1.CC(C)(C)c1ccc(F)c(NCC2CC2)c1.CCCN(C)c1cc(C(C)(C)C)ccc1F.CCCNc1cc(C(C)(C)C)ccc1F.CCN(C)c1cc(C(C)(C)C)ccc1F.CCNc1cc(C(C)(C)C)ccc1F.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCC[C@@H]1COc1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1.
What is the InChIKey of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline?
The InChIKey is JXSHJMULEXXMOV-LLCYEEIVSA-N. The full InChI is InChI=1S/C16H24FNO.C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.2C13H20FN.C12H18FN/c1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-5-9-18(13)4;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-15(2,3)12-4-5-13(16)14(7-12)17-8-10-6-11(10)9-17;1-15(2,3)12-7-8-13(16)14(9-12)17(4)10-11-5-6-11;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)10-6-7-11(15)12(8-10)16-13(17)9-4-5-9;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-6-9-16(5)13-10-11(14(2,3)4)7-8-12(13)15;1-6-15(5)12-9-10(13(2,3)4)7-8-11(12)14;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14;1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/h7-8,10,13H,5-6,9,11H2,1-4H3;5-6,11H,7-10H2,1-4H3;7-10H,5-6H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-9H,4-5H2,1-3H3,(H,16,17);6-8,10,16H,4-5,9H2,1-3H3;7-8,10H,6,9H2,1-5H3;7-9H,6H2,1-5H3;6-7,9,15H,5,8H2,1-4H3;6-8,14H,5H2,1-4H3/t13-;;;;;;;;;;;;;/m1............./s1.
What are the key properties of 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline?
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline has a molecular weight of 3240.00 g/mol, XLogP of 49.90, 30 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline is sourced from PubChem (CID 159054769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).