1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine

C27H28FN — CID 89191325

IUPAC1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine
SMILESC=C(C/N=C(\C)c1cc(F)ccc1CC)c1ccc(-c2ccccc2C)c(C)c1
InChIInChI=1S/C27H28FN/c1-6-22-11-13-24(28)16-27(22)21(5)29-17-20(4)23-12-14-26(19(3)15-23)25-10-8-7-9-18(25)2/h7-16H,4,6,17H2,1-3,5H3/b29-21+
InChIKeyFOWRRTSKUJNILR-XHLNEMQHSA-N
MW385.53 g/mol
LogP7.19
Rot. Bonds6

About 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine

1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine (PubChem CID 89191325) has the molecular formula C27H28FN and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine.

Molecular Properties

Compound Name1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine
PubChem CID89191325
Molecular FormulaC27H28FN
Molecular Weight385.53 g/mol
Exact Mass385.22
IUPAC Name1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine
SMILESC=C(C/N=C(\C)c1cc(F)ccc1CC)c1ccc(-c2ccccc2C)c(C)c1
InChIInChI=1S/C27H28FN/c1-6-22-11-13-24(28)16-27(22)21(5)29-17-20(4)23-12-14-26(19(3)15-23)25-10-8-7-9-18(25)2/h7-16H,4,6,17H2,1-3,5H3/b29-21+
InChIKeyFOWRRTSKUJNILR-XHLNEMQHSA-N
XLogP7.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine?
The IUPAC name of 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine (CID 89191325) is 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine.
What is the SMILES notation for 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine?
The canonical SMILES for 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine is C=C(C/N=C(\C)c1cc(F)ccc1CC)c1ccc(-c2ccccc2C)c(C)c1.
What is the InChIKey of 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine?
The InChIKey is FOWRRTSKUJNILR-XHLNEMQHSA-N. The full InChI is InChI=1S/C27H28FN/c1-6-22-11-13-24(28)16-27(22)21(5)29-17-20(4)23-12-14-26(19(3)15-23)25-10-8-7-9-18(25)2/h7-16H,4,6,17H2,1-3,5H3/b29-21+.
What are the key properties of 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine?
1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine has a molecular weight of 385.53 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine is sourced from PubChem (CID 89191325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).