1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine

C171H275N19O6S — CID 158355532

IUPAC1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC(C)N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.COCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2.C17H29N3.C16H26N2O2S.C16H26N2.4C15H24N2.2C15H23NO.C14H22O2/c1-14(2)20-12-10-17(11-13-20)19-16-8-6-15(7-9-16)18(3,4)5;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(12-10-15)21(4,19)20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;3*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/h6-9,14,17,19H,10-13H2,1-5H3;4-6,13H,7-12,14,18H2,1-3H3;5-8,15,17H,9-12H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;4-7,16H,8-12H2,1-3H3;3*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
InChIKeyGSVCXJMIAXOEOL-UHFFFAOYSA-N
MW2725.27 g/mol
LogP33.90
Rot. Bonds29

About 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine

1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 158355532) has the molecular formula C171H275N19O6S and a molecular weight of 2725.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID158355532
Molecular FormulaC171H275N19O6S
Molecular Weight2725.27 g/mol
Exact Mass2723.15
IUPAC Name1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC(C)N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.COCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2.C17H29N3.C16H26N2O2S.C16H26N2.4C15H24N2.2C15H23NO.C14H22O2/c1-14(2)20-12-10-17(11-13-20)19-16-8-6-15(7-9-16)18(3,4)5;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(12-10-15)21(4,19)20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;3*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/h6-9,14,17,19H,10-13H2,1-5H3;4-6,13H,7-12,14,18H2,1-3H3;5-8,15,17H,9-12H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;4-7,16H,8-12H2,1-3H3;3*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
InChIKeyGSVCXJMIAXOEOL-UHFFFAOYSA-N
XLogP33.90
TPSA243.30 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002725.27
LogP ≤ 533.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
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
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;1-[(4-tert-butylphenyl)methyl]piperazine;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 159167099
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
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
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 160831661
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;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 161498900
3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;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 161623904

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine (CID 158355532) is 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)(C)c1ccc(CN2CCNCC2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1ccc(NC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC(C)N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1.COCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is GSVCXJMIAXOEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.C17H29N3.C16H26N2O2S.C16H26N2.4C15H24N2.2C15H23NO.C14H22O2/c1-14(2)20-12-10-17(11-13-20)19-16-8-6-15(7-9-16)18(3,4)5;1-17(2,3)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(12-10-15)21(4,19)20;1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15;1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;3*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/h6-9,14,17,19H,10-13H2,1-5H3;4-6,13H,7-12,14,18H2,1-3H3;5-8,15,17H,9-12H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;4-7,16H,8-12H2,1-3H3;3*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.
What are the key properties of 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine?
1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 2725.27 g/mol, XLogP of 33.90, 29 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methoxypropoxy)benzene;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;tris(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 158355532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).