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

C171H244ClF11N12O5 — CID 159433115

IUPAC1-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
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.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1
InChIInChI=1S/C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.C14H19FO.C13H20FN/c1-15(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;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h5-6,11H,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;6-8,10H,4-5,9H2,1-3H3;6-7,9,15H,5,8H2,1-4H3/i;;;;;;;;;;9D2;
InChIKeyLRFSAJGRKMSGHN-TTYLQSNHSA-N
MW2794.36 g/mol
LogP43.08
Rot. Bonds26

About 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

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 (PubChem CID 159433115) has the molecular formula C171H244ClF11N12O5 and a molecular weight of 2794.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159433115
Molecular FormulaC171H244ClF11N12O5
Molecular Weight2794.36 g/mol
Exact Mass2791.88
IUPAC Name1-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
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.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1
InChIInChI=1S/C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.C14H19FO.C13H20FN/c1-15(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;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h5-6,11H,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;6-8,10H,4-5,9H2,1-3H3;6-7,9,15H,5,8H2,1-4H3/i;;;;;;;;;;9D2;
InChIKeyLRFSAJGRKMSGHN-TTYLQSNHSA-N
XLogP43.08
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.36
LogP ≤ 543.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
(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
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
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
CID 160810892
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
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;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide
CID 162120998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1.
What is the InChIKey of 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?
The InChIKey is LRFSAJGRKMSGHN-TTYLQSNHSA-N. The full InChI is InChI=1S/C15H23FN2.C15H20FNO.C15H20FN.C15H22FN.C14H19ClO.C14H21FN2.C14H20FNO.C14H18FNO.C14H20FN.C14H22FN.C14H19FO.C13H20FN/c1-15(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;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h5-6,11H,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;6-8,10H,4-5,9H2,1-3H3;6-7,9,15H,5,8H2,1-4H3/i;;;;;;;;;;9D2;.
What are the key properties of 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?
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 has a molecular weight of 2794.36 g/mol, XLogP of 43.08, 26 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159433115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).