N-benzyl-2-phenoxycyclohexan-1-imine oxide

C19H21NO2 — CID 177479166

IUPACN-benzyl-2-phenoxycyclohexan-1-imine oxide
SMILES[O-]/[N+](Cc1ccccc1)=C1/CCCCC1Oc1ccccc1
InChIInChI=1S/C19H21NO2/c21-20(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22-17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2/b20-18-
InChIKeyHAMLQXSNCALTQO-ZZEZOPTASA-N
MW295.38 g/mol
LogP4.16
Rot. Bonds4

About N-benzyl-2-phenoxycyclohexan-1-imine oxide

N-benzyl-2-phenoxycyclohexan-1-imine oxide (PubChem CID 177479166) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-benzyl-2-phenoxycyclohexan-1-imine oxide.

Molecular Properties

Compound NameN-benzyl-2-phenoxycyclohexan-1-imine oxide
PubChem CID177479166
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-benzyl-2-phenoxycyclohexan-1-imine oxide
SMILES[O-]/[N+](Cc1ccccc1)=C1/CCCCC1Oc1ccccc1
InChIInChI=1S/C19H21NO2/c21-20(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22-17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2/b20-18-
InChIKeyHAMLQXSNCALTQO-ZZEZOPTASA-N
XLogP4.16
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxycyclohexan-1-imine oxide?
The IUPAC name of N-benzyl-2-phenoxycyclohexan-1-imine oxide (CID 177479166) is N-benzyl-2-phenoxycyclohexan-1-imine oxide.
What is the SMILES notation for N-benzyl-2-phenoxycyclohexan-1-imine oxide?
The canonical SMILES for N-benzyl-2-phenoxycyclohexan-1-imine oxide is [O-]/[N+](Cc1ccccc1)=C1/CCCCC1Oc1ccccc1.
What is the InChIKey of N-benzyl-2-phenoxycyclohexan-1-imine oxide?
The InChIKey is HAMLQXSNCALTQO-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H21NO2/c21-20(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22-17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2/b20-18-.
What are the key properties of N-benzyl-2-phenoxycyclohexan-1-imine oxide?
N-benzyl-2-phenoxycyclohexan-1-imine oxide has a molecular weight of 295.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenoxycyclohexan-1-imine oxide is sourced from PubChem (CID 177479166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).