1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine

C150H231N11O9 — CID 158038512

IUPAC1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine
SMILESCC(C)(C)c1ccc(OCCN2CCC2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1ccnc(Cc2ccccn2)c1.CC(C)(C)c1ccnc(Cc2ccn[nH]2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CC(C)N(C)CCOc1ccc(C(C)(C)C)cc1.CCCCOc1ccc(C(C)(C)C)cc1.CCN(C)CCOc1ccc(C(C)(C)C)cc1.CN(C)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2.C16H25NO.C16H27NO.C16H26O.C15H18N2.C15H23NO.C15H25NO.C14H23NO.C14H22O.C13H17N3/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-13(2)17(6)11-12-18-15-9-7-14(8-10-15)16(3,4)5;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-15(2,3)12-7-9-17-14(10-12)11-13-6-4-5-8-16-13;1-15(2,3)13-5-7-14(8-6-13)17-12-11-16-9-4-10-16;1-6-16(5)11-12-17-14-9-7-13(8-10-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5;1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;1-13(2,3)10-4-6-14-12(8-10)9-11-5-7-15-16-11/h4-7H,8-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;7-10,13H,11-12H2,1-6H3;8-11,13H,6-7,12H2,1-5H3;4-10H,11H2,1-3H3;5-8H,4,9-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;6-9H,10-11H2,1-5H3;7-10H,5-6,11H2,1-4H3;4-8H,9H2,1-3H3,(H,15,16)
InChIKeyFIBHPNHYBGYDSV-UHFFFAOYSA-N
MW2332.57 g/mol
LogP34.18
Rot. Bonds39

About 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine

1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine (PubChem CID 158038512) has the molecular formula C150H231N11O9 and a molecular weight of 2332.57 g/mol. Its IUPAC name is 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine.

Molecular Properties

Compound Name1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine
PubChem CID158038512
Molecular FormulaC150H231N11O9
Molecular Weight2332.57 g/mol
Exact Mass2330.80
IUPAC Name1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine
SMILESCC(C)(C)c1ccc(OCCN2CCC2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1ccnc(Cc2ccccn2)c1.CC(C)(C)c1ccnc(Cc2ccn[nH]2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CC(C)N(C)CCOc1ccc(C(C)(C)C)cc1.CCCCOc1ccc(C(C)(C)C)cc1.CCN(C)CCOc1ccc(C(C)(C)C)cc1.CN(C)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2.C16H25NO.C16H27NO.C16H26O.C15H18N2.C15H23NO.C15H25NO.C14H23NO.C14H22O.C13H17N3/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-13(2)17(6)11-12-18-15-9-7-14(8-10-15)16(3,4)5;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-15(2,3)12-7-9-17-14(10-12)11-13-6-4-5-8-16-13;1-15(2,3)13-5-7-14(8-6-13)17-12-11-16-9-4-10-16;1-6-16(5)11-12-17-14-9-7-13(8-10-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5;1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;1-13(2,3)10-4-6-14-12(8-10)9-11-5-7-15-16-11/h4-7H,8-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;7-10,13H,11-12H2,1-6H3;8-11,13H,6-7,12H2,1-5H3;4-10H,11H2,1-3H3;5-8H,4,9-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;6-9H,10-11H2,1-5H3;7-10H,5-6,11H2,1-4H3;4-8H,9H2,1-3H3,(H,15,16)
InChIKeyFIBHPNHYBGYDSV-UHFFFAOYSA-N
XLogP34.18
TPSA169.86 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002332.57
LogP ≤ 534.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine?
The IUPAC name of 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine (CID 158038512) is 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine.
What is the SMILES notation for 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine?
The canonical SMILES for 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine is CC(C)(C)c1ccc(OCCN2CCC2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1ccnc(Cc2ccccn2)c1.CC(C)(C)c1ccnc(Cc2ccn[nH]2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CC(C)N(C)CCOc1ccc(C(C)(C)C)cc1.CCCCOc1ccc(C(C)(C)C)cc1.CCN(C)CCOc1ccc(C(C)(C)C)cc1.CN(C)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine?
The InChIKey is FIBHPNHYBGYDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C16H25NO.C16H27NO.C16H26O.C15H18N2.C15H23NO.C15H25NO.C14H23NO.C14H22O.C13H17N3/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-13(2)17(6)11-12-18-15-9-7-14(8-10-15)16(3,4)5;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-15(2,3)12-7-9-17-14(10-12)11-13-6-4-5-8-16-13;1-15(2,3)13-5-7-14(8-6-13)17-12-11-16-9-4-10-16;1-6-16(5)11-12-17-14-9-7-13(8-10-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5;1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;1-13(2,3)10-4-6-14-12(8-10)9-11-5-7-15-16-11/h4-7H,8-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;7-10,13H,11-12H2,1-6H3;8-11,13H,6-7,12H2,1-5H3;4-10H,11H2,1-3H3;5-8H,4,9-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;6-9H,10-11H2,1-5H3;7-10H,5-6,11H2,1-4H3;4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine?
1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine has a molecular weight of 2332.57 g/mol, XLogP of 34.18, 39 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-tert-butylbenzene;1-tert-butyl-4-(4-methylpentoxy)benzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]azetidine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;N-[2-(4-tert-butylphenoxy)ethyl]-N-methylpropan-2-amine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine is sourced from PubChem (CID 158038512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).