2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol

C150H235N11O10 — CID 160591642

IUPAC2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/2C19H29NO.C18H28N2O.C17H27N.C16H26N2.C16H23NO2.C16H25NO2.C16H27NO.C13H21NO2/c1-17(2,3)15-4-6-16(7-5-15)21-14-18-8-11-19(20,12-9-18)13-10-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,20H2,1-3H3;4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;5-8,15H,9-13H2,1-4H3;5-8H,9-13H2,1-4H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3
InChIKeyRDCHAYURHNOLBD-UHFFFAOYSA-N
MW2352.60 g/mol
LogP31.15
Rot. Bonds30

About 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol

2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol (PubChem CID 160591642) has the molecular formula C150H235N11O10 and a molecular weight of 2352.60 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
PubChem CID160591642
Molecular FormulaC150H235N11O10
Molecular Weight2352.60 g/mol
Exact Mass2350.82
IUPAC Name2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/2C19H29NO.C18H28N2O.C17H27N.C16H26N2.C16H23NO2.C16H25NO2.C16H27NO.C13H21NO2/c1-17(2,3)15-4-6-16(7-5-15)21-14-18-8-11-19(20,12-9-18)13-10-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,20H2,1-3H3;4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;5-8,15H,9-13H2,1-4H3;5-8H,9-13H2,1-4H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3
InChIKeyRDCHAYURHNOLBD-UHFFFAOYSA-N
XLogP31.15
TPSA234.42 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.60
LogP ≤ 531.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-4-(2-methoxyethoxy)benzene;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 157272953
N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423945
1-(3,3-dimethylbutan-2-yl)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine;1-[2-(3,3-dimethylbutoxy)ethyl]-4-(2-propan-2-yloxyethyl)piperazine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide;1-(4-methylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)piperazine;(1S,4S)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-propan-2-yloxyethyl)-2,5-diazabicyclo[2.2.1]heptane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 157152506
1-(6-Tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine
CID 157403126
3-[[4-[4-(cyclopentylmethoxy)phenyl]piperidin-3-yl]methoxy]benzonitrile;4-[[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-3-yl]methoxy]benzonitrile;4-[[(3R,4S)-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]piperidin-3-yl]methoxy]benzonitrile;3-[[(1S,2S)-2-[4-(2-phenylmethoxyethoxy)phenyl]cyclohexyl]methoxy]pyridine;4-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]methoxy]aniline
CID 157561788
bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol
CID 159273835
N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide
CID 159288968
N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide;N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide;N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-1-(2-pyridin-2-yloxyethyl)piperidine-4-carboxamide;N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-1-(2-pyridin-2-yloxyethyl)piperidine-4-carboxamide;N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-1-(2-pyridin-4-yloxyethyl)piperidine-4-carboxamide;N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-1-(2-pyridin-4-yloxyethyl)piperidine-4-carboxamide
CID 159750056
(3-methoxyphenyl)-pyridin-2-ylmethanamine;N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 160546935
4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
CID 160970531
1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
CID 161413049
4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;4-amino-N-(4-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
CID 161621099

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The IUPAC name of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol (CID 160591642) is 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol is CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The InChIKey is RDCHAYURHNOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H29NO.C18H28N2O.C17H27N.C16H26N2.C16H23NO2.C16H25NO2.C16H27NO.C13H21NO2/c1-17(2,3)15-4-6-16(7-5-15)21-14-18-8-11-19(20,12-9-18)13-10-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,20H2,1-3H3;4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;5-8,15H,9-13H2,1-4H3;5-8H,9-13H2,1-4H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol has a molecular weight of 2352.60 g/mol, XLogP of 31.15, 30 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 160591642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).