1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine

C161H255N15O8 — CID 159068217

IUPAC1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine
SMILESCC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O.C19H31N3O.C17H29N3.C17H27NO.2C15H24N2.2C15H23NO.C14H22O2.C14H20O/c1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);4-6,13H,7-12,14,18H2,1-3H3;6-8,11-13,16,18H,9-10H2,1-5H3;4-7,16H,8-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyJZHZKERITKXDMF-UHFFFAOYSA-N
MW2528.91 g/mol
LogP30.57
Rot. Bonds31

About 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine

1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine (PubChem CID 159068217) has the molecular formula C161H255N15O8 and a molecular weight of 2528.91 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine
PubChem CID159068217
Molecular FormulaC161H255N15O8
Molecular Weight2528.91 g/mol
Exact Mass2527.00
IUPAC Name1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine
SMILESCC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O.C19H31N3O.C17H29N3.C17H27NO.2C15H24N2.2C15H23NO.C14H22O2.C14H20O/c1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);4-6,13H,7-12,14,18H2,1-3H3;6-8,11-13,16,18H,9-10H2,1-5H3;4-7,16H,8-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyJZHZKERITKXDMF-UHFFFAOYSA-N
XLogP30.57
TPSA204.85 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002528.91
LogP ≤ 530.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine 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
acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
CID 157295613
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpiperidin-4-amine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157578193
1-tert-butyl-4-(3-methoxypropoxy)benzene;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157627718
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]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;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
CID 157994661
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-aminobutanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)propanamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;methane
CID 158050453
4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 158531766
3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 158690947
CID 159214482
CID 159214482
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159508872
1-[4-(2,2-Dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1-methylpiperidine;4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159929507
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;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
CID 160000721

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine (CID 159068217) is 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine is CC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine?
The InChIKey is JZHZKERITKXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.C19H31N3O.C17H29N3.C17H27NO.2C15H24N2.2C15H23NO.C14H22O2.C14H20O/c1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);4-6,13H,7-12,14,18H2,1-3H3;6-8,11-13,16,18H,9-10H2,1-5H3;4-7,16H,8-12H2,1-3H3;4-7,14,16-17H,8-11H2,1-3H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine?
1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine has a molecular weight of 2528.91 g/mol, XLogP of 30.57, 31 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;3-(3-tert-butylphenyl)oxolane;N-(4-tert-butylphenyl)piperidin-4-amine is sourced from PubChem (CID 159068217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).