2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol

C18H20FNO — CID 174247274

IUPAC2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
SMILESCc1cc(F)ccc1/N=C/c1cccc(C(C)(C)CO)c1
InChIInChI=1S/C18H20FNO/c1-13-9-16(19)7-8-17(13)20-11-14-5-4-6-15(10-14)18(2,3)12-21/h4-11,21H,12H2,1-3H3/b20-11+
InChIKeyZCDMZGZAJDWNDY-RGVLZGJSSA-N
MW285.36 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol

2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol (PubChem CID 174247274) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
PubChem CID174247274
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
SMILESCc1cc(F)ccc1/N=C/c1cccc(C(C)(C)CO)c1
InChIInChI=1S/C18H20FNO/c1-13-9-16(19)7-8-17(13)20-11-14-5-4-6-15(10-14)18(2,3)12-21/h4-11,21H,12H2,1-3H3/b20-11+
InChIKeyZCDMZGZAJDWNDY-RGVLZGJSSA-N
XLogP4.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.15
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 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol (CID 174247274) is 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol is Cc1cc(F)ccc1/N=C/c1cccc(C(C)(C)CO)c1.
What is the InChIKey of 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol?
The InChIKey is ZCDMZGZAJDWNDY-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-9-16(19)7-8-17(13)20-11-14-5-4-6-15(10-14)18(2,3)12-21/h4-11,21H,12H2,1-3H3/b20-11+.
What are the key properties of 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol?
2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 174247274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).