N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine

C18H18FNO — CID 123458805

IUPACN-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine
SMILESCC=C(/N=C/C)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-3-17(20-4-2)16-7-5-6-8-18(16)21-13-14-9-11-15(19)12-10-14/h3-12H,13H2,1-2H3/b17-3?,20-4+
InChIKeyJKUJZGDTYGSMRQ-FTXOFPGTSA-N
MW283.35 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine

N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine (PubChem CID 123458805) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine
PubChem CID123458805
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine
SMILESCC=C(/N=C/C)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-3-17(20-4-2)16-7-5-6-8-18(16)21-13-14-9-11-15(19)12-10-14/h3-12H,13H2,1-2H3/b17-3?,20-4+
InChIKeyJKUJZGDTYGSMRQ-FTXOFPGTSA-N
XLogP4.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.86
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 N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine?
The IUPAC name of N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine (CID 123458805) is N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine.
What is the SMILES notation for N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine?
The canonical SMILES for N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine is CC=C(/N=C/C)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine?
The InChIKey is JKUJZGDTYGSMRQ-FTXOFPGTSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-17(20-4-2)16-7-5-6-8-18(16)21-13-14-9-11-15(19)12-10-14/h3-12H,13H2,1-2H3/b17-3?,20-4+.
What are the key properties of N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine?
N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine has a molecular weight of 283.35 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-fluorophenyl)methoxy]phenyl]prop-1-enyl]ethanimine is sourced from PubChem (CID 123458805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).