1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

C17H18FNO — CID 102299449

IUPAC1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
SMILESCC(C)(C)Oc1ccccc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,3)20-16-7-5-4-6-15(16)19-12-13-8-10-14(18)11-9-13/h4-12H,1-3H3/b19-12+
InChIKeyBHEOCTFCVUVNBU-XDHOZWIPSA-N
MW271.34 g/mol
LogP4.75
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine (PubChem CID 102299449) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
PubChem CID102299449
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
SMILESCC(C)(C)Oc1ccccc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,3)20-16-7-5-4-6-15(16)19-12-13-8-10-14(18)11-9-13/h4-12H,1-3H3/b19-12+
InChIKeyBHEOCTFCVUVNBU-XDHOZWIPSA-N
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
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 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine (CID 102299449) is 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine is CC(C)(C)Oc1ccccc1/N=C/c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
The InChIKey is BHEOCTFCVUVNBU-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(2,3)20-16-7-5-4-6-15(16)19-12-13-8-10-14(18)11-9-13/h4-12H,1-3H3/b19-12+.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine?
1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine has a molecular weight of 271.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine is sourced from PubChem (CID 102299449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).