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

C11H15NO — CID 4702341

IUPACN-methyl-1-(4-propan-2-ylphenyl)methanimine oxide
SMILESCC(C)c1ccc(C=[N+](C)[O-])cc1
InChIInChI=1S/C11H15NO/c1-9(2)11-6-4-10(5-7-11)8-12(3)13/h4-9H,1-3H3
InChIKeyFEUJGBDHGHRSCY-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.37
Rot. Bonds2

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

N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide (PubChem CID 4702341) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)methanimine oxide
PubChem CID4702341
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)methanimine oxide
SMILESCC(C)c1ccc(C=[N+](C)[O-])cc1
InChIInChI=1S/C11H15NO/c1-9(2)11-6-4-10(5-7-11)8-12(3)13/h4-9H,1-3H3
InChIKeyFEUJGBDHGHRSCY-UHFFFAOYSA-N
XLogP2.37
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.37
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-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
CID 164679804
4-propan-2-ylbenzaldehyde
CID 326
1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
CID 139603367
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
(4-propan-2-ylphenyl)methanimine
CID 22483394
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
methyl-oxo-(4-propan-2-ylphenyl)azanium
CID 167560461
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-propan-2-ylbenzene
CID 79322960
1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
CID 10631145
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide (CID 4702341) is N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide is CC(C)c1ccc(C=[N+](C)[O-])cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide?
The InChIKey is FEUJGBDHGHRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)11-6-4-10(5-7-11)8-12(3)13/h4-9H,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide?
N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide has a molecular weight of 177.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide is sourced from PubChem (CID 4702341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).