[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

C15H23NO — CID 174897118

IUPAC[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
SMILES[H]/N=C/c1cccc(C(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C15H23NO/c1-14(2,3)12-9-7-8-11(10-16)13(12)17-15(4,5)6/h7-10,16H,1-6H3/b16-10+
InChIKeyIRXKSFJOSBDOQV-MHWRWJLKSA-N
MW233.35 g/mol
LogP4.16
Rot. Bonds2

About [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine (PubChem CID 174897118) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine.

Molecular Properties

Compound Name[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
PubChem CID174897118
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
SMILES[H]/N=C/c1cccc(C(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C15H23NO/c1-14(2,3)12-9-7-8-11(10-16)13(12)17-15(4,5)6/h7-10,16H,1-6H3/b16-10+
InChIKeyIRXKSFJOSBDOQV-MHWRWJLKSA-N
XLogP4.16
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The IUPAC name of [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine (CID 174897118) is [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine.
What is the SMILES notation for [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The canonical SMILES for [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine is [H]/N=C/c1cccc(C(C)(C)C)c1OC(C)(C)C.
What is the InChIKey of [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The InChIKey is IRXKSFJOSBDOQV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)12-9-7-8-11(10-16)13(12)17-15(4,5)6/h7-10,16H,1-6H3/b16-10+.
What are the key properties of [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine has a molecular weight of 233.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine is sourced from PubChem (CID 174897118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).