N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide

C18H21NO2 — CID 86587910

IUPACN-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide
SMILESCC(C)(C)[N+]([O-])=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)19(20)13-16-11-7-8-12-17(16)21-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyRIHNRNZVNVOZMT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.99
Rot. Bonds4

About N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide

N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide (PubChem CID 86587910) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide
PubChem CID86587910
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide
SMILESCC(C)(C)[N+]([O-])=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)19(20)13-16-11-7-8-12-17(16)21-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyRIHNRNZVNVOZMT-UHFFFAOYSA-N
XLogP3.99
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-1-(2-chloro-6-phenylmethoxyquinolin-3-yl)methanimine oxide
CID 170692258
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2,6-ditert-butyl-4-[(2-phenylmethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 171061210
N-tert-butyl-1-(2-carboxyphenyl)methanimine oxide
CID 74032497
2-methyl-1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 134610819
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide
CID 73197188

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide?
The IUPAC name of N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide (CID 86587910) is N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide?
The canonical SMILES for N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide is CC(C)(C)[N+]([O-])=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide?
The InChIKey is RIHNRNZVNVOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)19(20)13-16-11-7-8-12-17(16)21-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3.
What are the key properties of N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide?
N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide has a molecular weight of 283.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-phenylmethoxyphenyl)methanimine oxide is sourced from PubChem (CID 86587910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).