N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane

C263H429N17O17 — CID 159607150

IUPACN-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(C2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C23H32O2.C20H33N.C20H30O2.C19H30N2O.C19H29NO.2C19H31NO.C18H27NO2.C18H31NO2.C18H29NO.C17H27N3O.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-19(2,3)12-15-7-8-16(11-15)17-9-10-18(21-14-17)13-20(4,5)6;1-19(2,3)11-7-8-12-21-16-9-10-17-15(13-16)14-18(22-17)20(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)16-12-13-11-14(7-8-15(13)21-16)20-10-9-19-18(4,5)6;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,14-16H,7-8,11-13H2,1-6H3;2*9-10,13-14H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,11-12,19H,9-10H2,1-6H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;;11-10+;;;;;;;/t;15-,16?;;;;2*15-;;;;;;;;;;/m.1...10........../s1
InChIKeyMMFLPGACGSXMFL-KYOINWNSSA-N
MW4101.43 g/mol
LogP69.02
Rot. Bonds66

About N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane

N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane (PubChem CID 159607150) has the molecular formula C263H429N17O17 and a molecular weight of 4101.43 g/mol. Its IUPAC name is N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound NameN-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
PubChem CID159607150
Molecular FormulaC263H429N17O17
Molecular Weight4101.43 g/mol
Exact Mass4098.32
IUPAC NameN-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(C2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C23H32O2.C20H33N.C20H30O2.C19H30N2O.C19H29NO.2C19H31NO.C18H27NO2.C18H31NO2.C18H29NO.C17H27N3O.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-19(2,3)12-15-7-8-16(11-15)17-9-10-18(21-14-17)13-20(4,5)6;1-19(2,3)11-7-8-12-21-16-9-10-17-15(13-16)14-18(22-17)20(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)16-12-13-11-14(7-8-15(13)21-16)20-10-9-19-18(4,5)6;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,14-16H,7-8,11-13H2,1-6H3;2*9-10,13-14H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,11-12,19H,9-10H2,1-6H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;;11-10+;;;;;;;/t;15-,16?;;;;2*15-;;;;;;;;;;/m.1...10........../s1
InChIKeyMMFLPGACGSXMFL-KYOINWNSSA-N
XLogP69.02
TPSA362.21 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds66
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004101.43
LogP ≤ 569.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The IUPAC name of N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane (CID 159607150) is N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane.
What is the SMILES notation for N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The canonical SMILES for N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane is CC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(C2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.
What is the InChIKey of N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The InChIKey is MMFLPGACGSXMFL-KYOINWNSSA-N. The full InChI is InChI=1S/C23H32O2.C20H33N.C20H30O2.C19H30N2O.C19H29NO.2C19H31NO.C18H27NO2.C18H31NO2.C18H29NO.C17H27N3O.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-19(2,3)12-15-7-8-16(11-15)17-9-10-18(21-14-17)13-20(4,5)6;1-19(2,3)11-7-8-12-21-16-9-10-17-15(13-16)14-18(22-17)20(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)16-12-13-11-14(7-8-15(13)21-16)20-10-9-19-18(4,5)6;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,14-16H,7-8,11-13H2,1-6H3;2*9-10,13-14H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,11-12,19H,9-10H2,1-6H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;;11-10+;;;;;;;/t;15-,16?;;;;2*15-;;;;;;;;;;/m.1...10........../s1.
What are the key properties of N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane has a molecular weight of 4101.43 g/mol, XLogP of 69.02, 66 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-tert-butyl-1-benzofuran-5-yl)oxy]ethyl]-2-methylpropan-2-amine;2-tert-butyl-5-(5,5-dimethylhexoxy)-1-benzofuran;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)cyclopentyl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 159607150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).