cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine

C64H89FN4O — CID 162018837

IUPACcumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C10H15N.C10H14.C9H11F.C9H13NO.C9H13N.C9H12.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyYUMDAOPMCYXRJO-UHFFFAOYSA-N
MW949.44 g/mol
LogP18.58
Rot. Bonds9

About cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine

cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine (PubChem CID 162018837) has the molecular formula C64H89FN4O and a molecular weight of 949.44 g/mol. Its IUPAC name is cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine
PubChem CID162018837
Molecular FormulaC64H89FN4O
Molecular Weight949.44 g/mol
Exact Mass948.70
IUPAC Namecumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C10H15N.C10H14.C9H11F.C9H13NO.C9H13N.C9H12.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyYUMDAOPMCYXRJO-UHFFFAOYSA-N
XLogP18.58
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.44
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 167579061
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
CID 101246134
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
2-methyl-6-propan-2-ylpyridine
CID 12791785
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
1-(4-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446811
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
cumene;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 164524639
bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
CID 159786538
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659

Frequently Asked Questions

What is the IUPAC name of cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine?
The IUPAC name of cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine (CID 162018837) is cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine.
What is the SMILES notation for cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine?
The canonical SMILES for cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine is CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.
What is the InChIKey of cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine?
The InChIKey is YUMDAOPMCYXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C10H14.C9H11F.C9H13NO.C9H13N.C9H12.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine?
cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine has a molecular weight of 949.44 g/mol, XLogP of 18.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine is sourced from PubChem (CID 162018837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).