1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine

C22H26FN — CID 167054795

IUPAC1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine
SMILES[H]/N=C(\CCC(=C)C)c1ccc(-c2ccccc2C(C)(C)F)c(C)c1
InChIInChI=1S/C22H26FN/c1-15(2)10-13-21(24)17-11-12-18(16(3)14-17)19-8-6-7-9-20(19)22(4,5)23/h6-9,11-12,14,24H,1,10,13H2,2-5H3/b24-21+
InChIKeyWYJPLELIRSQRKC-DARPEHSRSA-N
MW323.46 g/mol
LogP6.59
Rot. Bonds6

About 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine

1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine (PubChem CID 167054795) has the molecular formula C22H26FN and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine.

Molecular Properties

Compound Name1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine
PubChem CID167054795
Molecular FormulaC22H26FN
Molecular Weight323.46 g/mol
Exact Mass323.20
IUPAC Name1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine
SMILES[H]/N=C(\CCC(=C)C)c1ccc(-c2ccccc2C(C)(C)F)c(C)c1
InChIInChI=1S/C22H26FN/c1-15(2)10-13-21(24)17-11-12-18(16(3)14-17)19-8-6-7-9-20(19)22(4,5)23/h6-9,11-12,14,24H,1,10,13H2,2-5H3/b24-21+
InChIKeyWYJPLELIRSQRKC-DARPEHSRSA-N
XLogP6.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine?
The IUPAC name of 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine (CID 167054795) is 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine.
What is the SMILES notation for 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine?
The canonical SMILES for 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine is [H]/N=C(\CCC(=C)C)c1ccc(-c2ccccc2C(C)(C)F)c(C)c1.
What is the InChIKey of 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine?
The InChIKey is WYJPLELIRSQRKC-DARPEHSRSA-N. The full InChI is InChI=1S/C22H26FN/c1-15(2)10-13-21(24)17-11-12-18(16(3)14-17)19-8-6-7-9-20(19)22(4,5)23/h6-9,11-12,14,24H,1,10,13H2,2-5H3/b24-21+.
What are the key properties of 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine?
1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine has a molecular weight of 323.46 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine is sourced from PubChem (CID 167054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).