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

C171H253F12N13O3 — CID 160899973

IUPAC4-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
SMILESCC(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(NCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)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(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.C16H23FO.C15H23FN2.C15H20FN.C15H22FN.C14H21FN2.C14H20FNO.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;1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;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)11-4-5-12(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)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;8-10,12H,4-7,11H2,1-3H3;5-6,11H,7-10H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;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
InChIKeySPJJBUIIPLGLIY-AHDIZTIMSA-N
MW2766.97 g/mol
LogP43.20
Rot. Bonds26

About 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

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 (PubChem CID 160899973) has the molecular formula C171H253F12N13O3 and a molecular weight of 2766.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160899973
Molecular FormulaC171H253F12N13O3
Molecular Weight2766.97 g/mol
Exact Mass2764.99
IUPAC Name4-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
SMILESCC(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(NCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)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(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.C16H23FO.C15H23FN2.C15H20FN.C15H22FN.C14H21FN2.C14H20FNO.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;1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;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)11-4-5-12(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)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;8-10,12H,4-7,11H2,1-3H3;5-6,11H,7-10H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;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
InChIKeySPJJBUIIPLGLIY-AHDIZTIMSA-N
XLogP43.20
TPSA104.97 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.97
LogP ≤ 543.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
CID 157125331
1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;bis(1-methyl-3-(trifluoromethyl)benzene);4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 158789453
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160469706
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-cyclopentyloxy-1-fluorobenzene;4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;3-[(5-tert-butyl-2-fluorophenoxy)methyl]azetidine;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 157252178
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine
CID 157510917
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;5-tert-butyl-2-fluoro-N-propylaniline
CID 157592940
bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;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;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 157768608
N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine
CID 158559838
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
4-tert-butyl-2-cyclobutyloxy-1-fluorobenzene;bis(4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene);4-tert-butyl-2-cyclopentyloxy-1-fluorobenzene;4-tert-butyl-2-[(1R)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-[(1S)-1-cyclopropylethoxy]-1-fluorobenzene;4-tert-butyl-2-(2-cyclopropylpropan-2-yloxy)-1-fluorobenzene;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;3-[(5-tert-butyl-2-fluorophenoxy)methyl]azetidine;3-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylazetidine;(2S)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 159410789
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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(NCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)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(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 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?
The InChIKey is SPJJBUIIPLGLIY-AHDIZTIMSA-N. The full InChI is InChI=1S/C16H24FNO.C16H23FO.C15H23FN2.C15H20FN.C15H22FN.C14H21FN2.C14H20FNO.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;1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;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)11-4-5-12(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)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;8-10,12H,4-7,11H2,1-3H3;5-6,11H,7-10H2,1-4H3;4-5,7,10-11H,6,8-9H2,1-3H3;7-9,11H,5-6,10H2,1-4H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;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 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?
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 has a molecular weight of 2766.97 g/mol, XLogP of 43.20, 26 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160899973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).