2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline

C18H22N2O2 — CID 10851636

IUPAC2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline
SMILESCC(C)(C)OCO/N=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)21-14-22-19-13-15-9-7-8-12-17(15)20-16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3/b19-13+
InChIKeyRBXQXGNXKPISAO-CPNJWEJPSA-N
MW298.39 g/mol
LogP4.55
Rot. Bonds6

About 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline

2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline (PubChem CID 10851636) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline
PubChem CID10851636
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline
SMILESCC(C)(C)OCO/N=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)21-14-22-19-13-15-9-7-8-12-17(15)20-16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3/b19-13+
InChIKeyRBXQXGNXKPISAO-CPNJWEJPSA-N
XLogP4.55
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline?
The IUPAC name of 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline (CID 10851636) is 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline.
What is the SMILES notation for 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline?
The canonical SMILES for 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline is CC(C)(C)OCO/N=C/c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline?
The InChIKey is RBXQXGNXKPISAO-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)21-14-22-19-13-15-9-7-8-12-17(15)20-16-10-5-4-6-11-16/h4-13,20H,14H2,1-3H3/b19-13+.
What are the key properties of 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline?
2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline has a molecular weight of 298.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-methylpropan-2-yl)oxymethoxyiminomethyl]-N-phenylaniline is sourced from PubChem (CID 10851636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).