tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine

C114H169N7O11 — CID 159149987

IUPACtert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCC(C)c1ccc(OCC2CCCN2)cc1.CC(C)c1ccc(OCC2CCCN2C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCC2CCNCC2)cc1.CC(C)c1ccc(OCCCCN)cc1.CC(C)c1ccc(OCCc2ccccn2)cc1.CC(C)c1cccc(OCCN2CCOCC2)c1.CC(C)c1ccccc1O.COCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H29NO3.C16H19NO.C15H23NO2.C15H23NO.C14H21NO.2C13H21NO.C9H12O/c1-14(2)15-8-10-17(11-9-15)22-13-16-7-6-12-20(16)18(21)23-19(3,4)5;1-13(2)14-6-8-16(9-7-14)18-12-10-15-5-3-4-11-17-15;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;1-12(2)14-3-5-15(6-4-14)17-11-13-7-9-16-10-8-13;1-11(2)12-5-7-14(8-6-12)16-10-13-4-3-9-15-13;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-3-9-14;1-7(2)8-5-3-4-6-9(8)10/h8-11,14,16H,6-7,12-13H2,1-5H3;3-9,11,13H,10,12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3-6,12-13,16H,7-11H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,3-4,9-10,14H2,1-2H3;3-7,10H,1-2H3
InChIKeyKJDQKPMJOIYDIE-UHFFFAOYSA-N
MW1813.64 g/mol
LogP25.05
Rot. Bonds35

About tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine

tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine (PubChem CID 159149987) has the molecular formula C114H169N7O11 and a molecular weight of 1813.64 g/mol. Its IUPAC name is tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Nametert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine
PubChem CID159149987
Molecular FormulaC114H169N7O11
Molecular Weight1813.64 g/mol
Exact Mass1812.29
IUPAC Nametert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCC(C)c1ccc(OCC2CCCN2)cc1.CC(C)c1ccc(OCC2CCCN2C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCC2CCNCC2)cc1.CC(C)c1ccc(OCCCCN)cc1.CC(C)c1ccc(OCCc2ccccn2)cc1.CC(C)c1cccc(OCCN2CCOCC2)c1.CC(C)c1ccccc1O.COCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H29NO3.C16H19NO.C15H23NO2.C15H23NO.C14H21NO.2C13H21NO.C9H12O/c1-14(2)15-8-10-17(11-9-15)22-13-16-7-6-12-20(16)18(21)23-19(3,4)5;1-13(2)14-6-8-16(9-7-14)18-12-10-15-5-3-4-11-17-15;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;1-12(2)14-3-5-15(6-4-14)17-11-13-7-9-16-10-8-13;1-11(2)12-5-7-14(8-6-12)16-10-13-4-3-9-15-13;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-3-9-14;1-7(2)8-5-3-4-6-9(8)10/h8-11,14,16H,6-7,12-13H2,1-5H3;3-9,11,13H,10,12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3-6,12-13,16H,7-11H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,3-4,9-10,14H2,1-2H3;3-7,10H,1-2H3
InChIKeyKJDQKPMJOIYDIE-UHFFFAOYSA-N
XLogP25.05
TPSA201.85 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.64
LogP ≤ 525.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine?
The IUPAC name of tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine (CID 159149987) is tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine?
The canonical SMILES for tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine is CC(C)c1ccc(OCC2CCCN2)cc1.CC(C)c1ccc(OCC2CCCN2C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCC2CCNCC2)cc1.CC(C)c1ccc(OCCCCN)cc1.CC(C)c1ccc(OCCc2ccccn2)cc1.CC(C)c1cccc(OCCN2CCOCC2)c1.CC(C)c1ccccc1O.COCCNCc1ccc(C(C)C)cc1.
What is the InChIKey of tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine?
The InChIKey is KJDQKPMJOIYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3.C16H19NO.C15H23NO2.C15H23NO.C14H21NO.2C13H21NO.C9H12O/c1-14(2)15-8-10-17(11-9-15)22-13-16-7-6-12-20(16)18(21)23-19(3,4)5;1-13(2)14-6-8-16(9-7-14)18-12-10-15-5-3-4-11-17-15;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;1-12(2)14-3-5-15(6-4-14)17-11-13-7-9-16-10-8-13;1-11(2)12-5-7-14(8-6-12)16-10-13-4-3-9-15-13;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-3-9-14;1-7(2)8-5-3-4-6-9(8)10/h8-11,14,16H,6-7,12-13H2,1-5H3;3-9,11,13H,10,12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3-6,12-13,16H,7-11H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,3-4,9-10,14H2,1-2H3;3-7,10H,1-2H3.
What are the key properties of tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine?
tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine has a molecular weight of 1813.64 g/mol, XLogP of 25.05, 35 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 159149987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).