N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine

C22H20F2N2S — CID 139087974

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine
SMILESC[C@@H](/N=C/c1ccc(/C=N/[C@H](C)c2ccc(F)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2S/c1-15(17-3-7-19(23)8-4-17)25-13-21-11-12-22(27-21)14-26-16(2)18-5-9-20(24)10-6-18/h3-16H,1-2H3/b25-13+,26-14+/t15-,16-/m1/s1
InChIKeySIUCERKIXYYZDB-LMAQFAKYSA-N
MW382.48 g/mol
LogP6.39
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine (PubChem CID 139087974) has the molecular formula C22H20F2N2S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine
PubChem CID139087974
Molecular FormulaC22H20F2N2S
Molecular Weight382.48 g/mol
Exact Mass382.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine
SMILESC[C@@H](/N=C/c1ccc(/C=N/[C@H](C)c2ccc(F)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N2S/c1-15(17-3-7-19(23)8-4-17)25-13-21-11-12-22(27-21)14-26-16(2)18-5-9-20(24)10-6-18/h3-16H,1-2H3/b25-13+,26-14+/t15-,16-/m1/s1
InChIKeySIUCERKIXYYZDB-LMAQFAKYSA-N
XLogP6.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanamine, N-(2-thienylmethylene)-
CID 2740077
2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
CID 139086693
2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene
CID 139086718
1-phenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484482
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484483
N-benzhydryl-1-thiophen-2-ylmethanimine
CID 13763460
1-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[[(1R)-1-phenylethyl]iminomethyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N-[(1R)-1-phenylethyl]methanimine
CID 15505562
5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
CID 18182759
2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole
CID 21350348
5-(2,6-difluorophenyl)-2-[4-[4-(5-methylthiophen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58664403
5-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-pyrrole
CID 58817485
2-(1-benzothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58817491

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine (CID 139087974) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine is C[C@@H](/N=C/c1ccc(/C=N/[C@H](C)c2ccc(F)cc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine?
The InChIKey is SIUCERKIXYYZDB-LMAQFAKYSA-N. The full InChI is InChI=1S/C22H20F2N2S/c1-15(17-3-7-19(23)8-4-17)25-13-21-11-12-22(27-21)14-26-16(2)18-5-9-20(24)10-6-18/h3-16H,1-2H3/b25-13+,26-14+/t15-,16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine has a molecular weight of 382.48 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]thiophen-2-yl]methanimine is sourced from PubChem (CID 139087974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).