(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine

C20H22FN — CID 163747705

IUPAC(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine
SMILES[H]/N=C(Cc1ccccc1C)/C(=C/C)c1cc(F)ccc1CC
InChIInChI=1S/C20H22FN/c1-4-15-10-11-17(21)13-19(15)18(5-2)20(22)12-16-9-7-6-8-14(16)3/h5-11,13,22H,4,12H2,1-3H3/b18-5+,22-20+
InChIKeyLNHGPFMVPHQDGS-MXSAYALTSA-N
MW295.40 g/mol
LogP5.36
Rot. Bonds5

About (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine

(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine (PubChem CID 163747705) has the molecular formula C20H22FN and a molecular weight of 295.40 g/mol. Its IUPAC name is (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine
PubChem CID163747705
Molecular FormulaC20H22FN
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine
SMILES[H]/N=C(Cc1ccccc1C)/C(=C/C)c1cc(F)ccc1CC
InChIInChI=1S/C20H22FN/c1-4-15-10-11-17(21)13-19(15)18(5-2)20(22)12-16-9-7-6-8-14(16)3/h5-11,13,22H,4,12H2,1-3H3/b18-5+,22-20+
InChIKeyLNHGPFMVPHQDGS-MXSAYALTSA-N
XLogP5.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
methyl 2-ethyl-4-fluorobenzenecarboximidothioate
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carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine?
The IUPAC name of (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine (CID 163747705) is (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine.
What is the SMILES notation for (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine?
The canonical SMILES for (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine is [H]/N=C(Cc1ccccc1C)/C(=C/C)c1cc(F)ccc1CC.
What is the InChIKey of (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine?
The InChIKey is LNHGPFMVPHQDGS-MXSAYALTSA-N. The full InChI is InChI=1S/C20H22FN/c1-4-15-10-11-17(21)13-19(15)18(5-2)20(22)12-16-9-7-6-8-14(16)3/h5-11,13,22H,4,12H2,1-3H3/b18-5+,22-20+.
What are the key properties of (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine?
(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine has a molecular weight of 295.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine is sourced from PubChem (CID 163747705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).