N,1-bis(2-methylphenyl)methanimine oxide

C15H15NO — CID 88775099

IUPACN,1-bis(2-methylphenyl)methanimine oxide
SMILESCc1ccccc1C=[N+]([O-])c1ccccc1C
InChIInChI=1S/C15H15NO/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-11H,1-2H3
InChIKeyFKXRDTCYXWDADN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.56
Rot. Bonds2

About N,1-bis(2-methylphenyl)methanimine oxide

N,1-bis(2-methylphenyl)methanimine oxide (PubChem CID 88775099) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N,1-bis(2-methylphenyl)methanimine oxide.

Molecular Properties

Compound NameN,1-bis(2-methylphenyl)methanimine oxide
PubChem CID88775099
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN,1-bis(2-methylphenyl)methanimine oxide
SMILESCc1ccccc1C=[N+]([O-])c1ccccc1C
InChIInChI=1S/C15H15NO/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-11H,1-2H3
InChIKeyFKXRDTCYXWDADN-UHFFFAOYSA-N
XLogP3.56
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.56
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

1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide
CID 88775313
N-methyl-1-(2-methylphenyl)methanimine oxide
CID 135078631
N-(2-methylphenyl)-1-(3-methylphenyl)methanimine oxide
CID 88776510
ethenyl-methyl-[(2-methylphenyl)methylidene]azanium
CID 123219568
N-tert-butyl-1-(2-nitrophenyl)methanimine oxide
CID 15748949
N-methyl-1-(2-nitrophenyl)methanimine oxide
CID 6193987
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 3469700
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
1-methyl-2-[(Z)-3-methyl-2-nitrobut-1-enyl]benzene
CID 115347758
1-methyl-2-nitrobenzene;prop-2-enoic acid
CID 159952950
benzenecarbothioamide;dimethyl-[(2-methylphenyl)methylidene]azanium
CID 174445897

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-methylphenyl)methanimine oxide?
The IUPAC name of N,1-bis(2-methylphenyl)methanimine oxide (CID 88775099) is N,1-bis(2-methylphenyl)methanimine oxide.
What is the SMILES notation for N,1-bis(2-methylphenyl)methanimine oxide?
The canonical SMILES for N,1-bis(2-methylphenyl)methanimine oxide is Cc1ccccc1C=[N+]([O-])c1ccccc1C.
What is the InChIKey of N,1-bis(2-methylphenyl)methanimine oxide?
The InChIKey is FKXRDTCYXWDADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-11H,1-2H3.
What are the key properties of N,1-bis(2-methylphenyl)methanimine oxide?
N,1-bis(2-methylphenyl)methanimine oxide has a molecular weight of 225.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-methylphenyl)methanimine oxide is sourced from PubChem (CID 88775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).