1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine

C17H16FNS — CID 143446442

IUPAC1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine
SMILESC/C=C/Sc1ccccc1/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C17H16FNS/c1-3-12-20-16-7-5-4-6-15(16)17(19-2)13-8-10-14(18)11-9-13/h3-12H,1-2H3/b12-3+,19-17+
InChIKeyZEHHMCJJOUTDDX-JYOWRIIVSA-N
MW285.39 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine

1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine (PubChem CID 143446442) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine
PubChem CID143446442
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine
SMILESC/C=C/Sc1ccccc1/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C17H16FNS/c1-3-12-20-16-7-5-4-6-15(16)17(19-2)13-8-10-14(18)11-9-13/h3-12H,1-2H3/b12-3+,19-17+
InChIKeyZEHHMCJJOUTDDX-JYOWRIIVSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.92
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

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3,3-dibutyl-7-fluoro-5-phenyl-2H-1lambda6,4-benzothiazepine 1,1-dioxide
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CID 23074256
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CID 53773742
1-(4-fluorophenyl)-N-methoxy-2-methyl-2-phenylsulfanylpropan-1-imine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine (CID 143446442) is 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine is C/C=C/Sc1ccccc1/C(=N/C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine?
The InChIKey is ZEHHMCJJOUTDDX-JYOWRIIVSA-N. The full InChI is InChI=1S/C17H16FNS/c1-3-12-20-16-7-5-4-6-15(16)17(19-2)13-8-10-14(18)11-9-13/h3-12H,1-2H3/b12-3+,19-17+.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine?
1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine has a molecular weight of 285.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-[2-[(E)-prop-1-enyl]sulfanylphenyl]methanimine is sourced from PubChem (CID 143446442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).