1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole

C168H245N13O8 — CID 159397303

IUPAC1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole
SMILESCC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-n2cccc2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.CC(C)(C)c1ccc(OCCCn2ccnn2)cc1.CC(C)(C)c1ccc(OCCN2CCCCC2)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO.2C17H27NO.C15H21N3O.C15H24N2.C15H25NO.2C15H17N.C14H21NO.C14H17N.C13H20O2/c1-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-4-6-13-19;1-17(2,3)15-7-9-16(10-8-15)19-14-6-13-18-11-4-5-12-18;1-17(2,3)15-7-9-16(10-8-15)19-14-13-18-11-5-4-6-12-18;1-15(2,3)13-5-7-14(8-6-13)19-12-4-10-18-11-9-16-17-18;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4/h8-11H,4-7,12-15H2,1-3H3;2*7-10H,4-6,11-14H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;5-8H,9-12H2,1-4H3;7-10H,6,11-12H2,1-5H3;2*4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-11H,1-3H3;5-8H,9-10H2,1-4H3
InChIKeyLMWVCFSRJAXXGS-UHFFFAOYSA-N
MW2574.89 g/mol
LogP38.73
Rot. Bonds33

About 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole

1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole (PubChem CID 159397303) has the molecular formula C168H245N13O8 and a molecular weight of 2574.89 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole
PubChem CID159397303
Molecular FormulaC168H245N13O8
Molecular Weight2574.89 g/mol
Exact Mass2572.92
IUPAC Name1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole
SMILESCC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-n2cccc2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.CC(C)(C)c1ccc(OCCCn2ccnn2)cc1.CC(C)(C)c1ccc(OCCN2CCCCC2)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO.2C17H27NO.C15H21N3O.C15H24N2.C15H25NO.2C15H17N.C14H21NO.C14H17N.C13H20O2/c1-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-4-6-13-19;1-17(2,3)15-7-9-16(10-8-15)19-14-6-13-18-11-4-5-12-18;1-17(2,3)15-7-9-16(10-8-15)19-14-13-18-11-5-4-6-12-18;1-15(2,3)13-5-7-14(8-6-13)19-12-4-10-18-11-9-16-17-18;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4/h8-11H,4-7,12-15H2,1-3H3;2*7-10H,4-6,11-14H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;5-8H,9-12H2,1-4H3;7-10H,6,11-12H2,1-5H3;2*4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-11H,1-3H3;5-8H,9-10H2,1-4H3
InChIKeyLMWVCFSRJAXXGS-UHFFFAOYSA-N
XLogP38.73
TPSA157.94 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.89
LogP ≤ 538.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole 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

4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;2-(4-tert-butyl-2-fluorophenoxy)ethanol;1-[2-(4-tert-butyl-2-fluorophenoxy)ethyl]piperidine;3-(4-tert-butyl-2-fluorophenyl)-N,N-dimethylpropan-1-amine;1-(4-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-N-methylbenzamide;1-(4-tert-butyl-2-methylphenyl)-4-methylpiperazine;4-tert-butyl-1,2-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperidine
CID 162235239
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol
CID 51003630
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
CID 87439588
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
ethyl 3-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;phenyl 3-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;phenyl 3-[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;phenyl 3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;pyridin-3-ylmethyl 3-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;pyridin-3-ylmethyl 3-[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;pyridin-3-ylmethyl 3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate
CID 158283816
1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine
CID 159236702
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole
CID 91661154
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole?
The IUPAC name of 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole (CID 159397303) is 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole is CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-n2cccc2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCCN2CCCCC2)cc1.CC(C)(C)c1ccc(OCCCn2ccnn2)cc1.CC(C)(C)c1ccc(OCCN2CCCCC2)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole?
The InChIKey is LMWVCFSRJAXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.2C17H27NO.C15H21N3O.C15H24N2.C15H25NO.2C15H17N.C14H21NO.C14H17N.C13H20O2/c1-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-4-6-13-19;1-17(2,3)15-7-9-16(10-8-15)19-14-6-13-18-11-4-5-12-18;1-17(2,3)15-7-9-16(10-8-15)19-14-13-18-11-5-4-6-12-18;1-15(2,3)13-5-7-14(8-6-13)19-12-4-10-18-11-9-16-17-18;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4/h8-11H,4-7,12-15H2,1-3H3;2*7-10H,4-6,11-14H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;5-8H,9-12H2,1-4H3;7-10H,6,11-12H2,1-5H3;2*4-11H,1-3H3;4-7H,8-11H2,1-3H3;4-11H,1-3H3;5-8H,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole?
1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole has a molecular weight of 2574.89 g/mol, XLogP of 38.73, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole is sourced from PubChem (CID 159397303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).