1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene

C168H246N8O2 — CID 159447535

IUPAC1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene
SMILESCC(C)CCCCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)CCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)c1cc(-c2cccn2C)cc(C(C)C)c1.CC(C)c1cc(-c2ccncc2)cc(C(C)C)c1.CC(C)c1cc(CN(C)C)cc(C(C)C)c1.CC(C)c1cc(CN2CCCC2)cc(C(C)C)c1.CC(C)c1cc(Cn2ccnc2)cc(C(C)C)c1.CCc1cc(C(C)C)cc(C(C)C)c1.Cc1cnccc1-c1cc(C(C)C)cc(C(C)C)c1.Cc1ncccc1-c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C19H32O.2C18H23N.C17H23N.C17H21N.C17H27N.C17H28O.C16H22N2.C15H25N.C14H22/c1-14(2)9-7-8-10-20-19-12-17(15(3)4)11-18(13-19)16(5)6;1-12(2)15-8-16(13(3)4)10-17(9-15)18-6-7-19-11-14(18)5;1-12(2)15-9-16(13(3)4)11-17(10-15)18-7-6-8-19-14(18)5;1-12(2)14-9-15(13(3)4)11-16(10-14)17-7-6-8-18(17)5;1-12(2)15-9-16(13(3)4)11-17(10-15)14-5-7-18-8-6-14;1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18;1-12(2)7-8-18-17-10-15(13(3)4)9-16(11-17)14(5)6;1-12(2)15-7-14(8-16(9-15)13(3)4)10-18-6-5-17-11-18;1-11(2)14-7-13(10-16(5)6)8-15(9-14)12(3)4;1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h11-16H,7-10H2,1-6H3;2*6-13H,1-5H3;6-13H,1-5H3;5-13H,1-4H3;9-11,13-14H,5-8,12H2,1-4H3;9-14H,7-8H2,1-6H3;5-9,11-13H,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;7-11H,6H2,1-5H3
InChIKeyLSYHNZWIYWIQAL-UHFFFAOYSA-N
MW2409.87 g/mol
LogP49.24
Rot. Bonds41

About 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene

1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene (PubChem CID 159447535) has the molecular formula C168H246N8O2 and a molecular weight of 2409.87 g/mol. Its IUPAC name is 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene
PubChem CID159447535
Molecular FormulaC168H246N8O2
Molecular Weight2409.87 g/mol
Exact Mass2407.94
IUPAC Name1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene
SMILESCC(C)CCCCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)CCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)c1cc(-c2cccn2C)cc(C(C)C)c1.CC(C)c1cc(-c2ccncc2)cc(C(C)C)c1.CC(C)c1cc(CN(C)C)cc(C(C)C)c1.CC(C)c1cc(CN2CCCC2)cc(C(C)C)c1.CC(C)c1cc(Cn2ccnc2)cc(C(C)C)c1.CCc1cc(C(C)C)cc(C(C)C)c1.Cc1cnccc1-c1cc(C(C)C)cc(C(C)C)c1.Cc1ncccc1-c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C19H32O.2C18H23N.C17H23N.C17H21N.C17H27N.C17H28O.C16H22N2.C15H25N.C14H22/c1-14(2)9-7-8-10-20-19-12-17(15(3)4)11-18(13-19)16(5)6;1-12(2)15-8-16(13(3)4)10-17(9-15)18-6-7-19-11-14(18)5;1-12(2)15-9-16(13(3)4)11-17(10-15)18-7-6-8-19-14(18)5;1-12(2)14-9-15(13(3)4)11-16(10-14)17-7-6-8-18(17)5;1-12(2)15-9-16(13(3)4)11-17(10-15)14-5-7-18-8-6-14;1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18;1-12(2)7-8-18-17-10-15(13(3)4)9-16(11-17)14(5)6;1-12(2)15-7-14(8-16(9-15)13(3)4)10-18-6-5-17-11-18;1-11(2)14-7-13(10-16(5)6)8-15(9-14)12(3)4;1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h11-16H,7-10H2,1-6H3;2*6-13H,1-5H3;6-13H,1-5H3;5-13H,1-4H3;9-11,13-14H,5-8,12H2,1-4H3;9-14H,7-8H2,1-6H3;5-9,11-13H,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;7-11H,6H2,1-5H3
InChIKeyLSYHNZWIYWIQAL-UHFFFAOYSA-N
XLogP49.24
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds41
Heavy Atoms178
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002409.87
LogP ≤ 549.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene (CID 159447535) is 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene is CC(C)CCCCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)CCOc1cc(C(C)C)cc(C(C)C)c1.CC(C)c1cc(-c2cccn2C)cc(C(C)C)c1.CC(C)c1cc(-c2ccncc2)cc(C(C)C)c1.CC(C)c1cc(CN(C)C)cc(C(C)C)c1.CC(C)c1cc(CN2CCCC2)cc(C(C)C)c1.CC(C)c1cc(Cn2ccnc2)cc(C(C)C)c1.CCc1cc(C(C)C)cc(C(C)C)c1.Cc1cnccc1-c1cc(C(C)C)cc(C(C)C)c1.Cc1ncccc1-c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene?
The InChIKey is LSYHNZWIYWIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O.2C18H23N.C17H23N.C17H21N.C17H27N.C17H28O.C16H22N2.C15H25N.C14H22/c1-14(2)9-7-8-10-20-19-12-17(15(3)4)11-18(13-19)16(5)6;1-12(2)15-8-16(13(3)4)10-17(9-15)18-6-7-19-11-14(18)5;1-12(2)15-9-16(13(3)4)11-17(10-15)18-7-6-8-19-14(18)5;1-12(2)14-9-15(13(3)4)11-16(10-14)17-7-6-8-18(17)5;1-12(2)15-9-16(13(3)4)11-17(10-15)14-5-7-18-8-6-14;1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18;1-12(2)7-8-18-17-10-15(13(3)4)9-16(11-17)14(5)6;1-12(2)15-7-14(8-16(9-15)13(3)4)10-18-6-5-17-11-18;1-11(2)14-7-13(10-16(5)6)8-15(9-14)12(3)4;1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h11-16H,7-10H2,1-6H3;2*6-13H,1-5H3;6-13H,1-5H3;5-13H,1-4H3;9-11,13-14H,5-8,12H2,1-4H3;9-14H,7-8H2,1-6H3;5-9,11-13H,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;7-11H,6H2,1-5H3.
What are the key properties of 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene?
1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene has a molecular weight of 2409.87 g/mol, XLogP of 49.24, 41 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[[3,5-di(propan-2-yl)phenyl]methyl]imidazole;3-[3,5-di(propan-2-yl)phenyl]-2-methylpyridine;4-[3,5-di(propan-2-yl)phenyl]-3-methylpyridine;2-[3,5-di(propan-2-yl)phenyl]-1-methylpyrrole;1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrolidine;4-[3,5-di(propan-2-yl)phenyl]pyridine;1-ethyl-3,5-di(propan-2-yl)benzene;1-(3-methylbutoxy)-3,5-di(propan-2-yl)benzene;1-(5-methylhexoxy)-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 159447535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).