1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide

C11H15NO — CID 10631145

IUPAC1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(C)C)cc1
InChIInChI=1S/C11H15NO/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-9H,1-3H3/b12-8-
InChIKeyINQLPBFMPSCMEE-WQLSENKSSA-N
MW177.25 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide

1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide (PubChem CID 10631145) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
PubChem CID10631145
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(C)C)cc1
InChIInChI=1S/C11H15NO/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-9H,1-3H3/b12-8-
InChIKeyINQLPBFMPSCMEE-WQLSENKSSA-N
XLogP2.33
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 ≤ 52.33
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-methyl-1-(4-methylphenyl)methanimine oxide
CID 2763925
N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
CID 164679804
1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
CID 11042403
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 23248118
N-methyl-1-(4-propan-2-ylphenyl)methanimine oxide
CID 4702341
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
1,1-difluoroethane;1,4-xylene
CID 169209229
1,1-dichloroethane;1,4-xylene
CID 70558607
(2R)-4-(4-methylphenyl)but-3-en-2-ol
CID 131852428

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide?
The IUPAC name of 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide (CID 10631145) is 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide.
What is the SMILES notation for 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide?
The canonical SMILES for 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide is Cc1ccc(/C=[N+](\[O-])C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide?
The InChIKey is INQLPBFMPSCMEE-WQLSENKSSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-9H,1-3H3/b12-8-.
What are the key properties of 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide?
1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide has a molecular weight of 177.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-propan-2-ylmethanimine oxide is sourced from PubChem (CID 10631145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).