N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide

C17H19NO — CID 164679804

IUPACN-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
SMILESCc1ccc(/[N+]([O-])=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-13(2)16-8-6-15(7-9-16)12-18(19)17-10-4-14(3)5-11-17/h4-13H,1-3H3/b18-12-
InChIKeyLCRVGAWBCVYQMB-PDGQHHTCSA-N
MW253.34 g/mol
LogP4.38
Rot. Bonds3

About N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide

N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide (PubChem CID 164679804) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
PubChem CID164679804
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
SMILESCc1ccc(/[N+]([O-])=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-13(2)16-8-6-15(7-9-16)12-18(19)17-10-4-14(3)5-11-17/h4-13H,1-3H3/b18-12-
InChIKeyLCRVGAWBCVYQMB-PDGQHHTCSA-N
XLogP4.38
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
CID 139603367
N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide
CID 4702341
1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
CID 10631145
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
CID 88775122
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate
CID 142132949
N-methyl-1-(4-methylphenyl)methanimine oxide
CID 2763925
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide?
The IUPAC name of N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide (CID 164679804) is N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide.
What is the SMILES notation for N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide?
The canonical SMILES for N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide is Cc1ccc(/[N+]([O-])=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide?
The InChIKey is LCRVGAWBCVYQMB-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(2)16-8-6-15(7-9-16)12-18(19)17-10-4-14(3)5-11-17/h4-13H,1-3H3/b18-12-.
What are the key properties of N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide?
N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide has a molecular weight of 253.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide is sourced from PubChem (CID 164679804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).