1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine

C16H15F2NO — CID 21205334

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-12(14-5-3-2-4-6-14)19-11-13-7-9-15(10-8-13)20-16(17)18/h2-12,16H,1H3/b19-11+
InChIKeyVAGUPEASZIMIGL-YBFXNURJSA-N
MW275.30 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine

1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine (PubChem CID 21205334) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
PubChem CID21205334
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-12(14-5-3-2-4-6-14)19-11-13-7-9-15(10-8-13)20-16(17)18/h2-12,16H,1H3/b19-11+
InChIKeyVAGUPEASZIMIGL-YBFXNURJSA-N
XLogP4.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971
difluoromethoxybenzene;ethane
CID 142246454
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 2342638
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2-[[4-(difluoromethoxy)phenyl]methylidene]-N,N'-bis(1-phenylethyl)propanediamide
CID 5001676
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469
[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
CID 22007900

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine (CID 21205334) is 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine is CC(/N=C/c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine?
The InChIKey is VAGUPEASZIMIGL-YBFXNURJSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-12(14-5-3-2-4-6-14)19-11-13-7-9-15(10-8-13)20-16(17)18/h2-12,16H,1H3/b19-11+.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine?
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine has a molecular weight of 275.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 21205334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).