N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline

C23H26FN — CID 142815864

IUPACN-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline
SMILESC=C(CC)Nc1cc(C)cc(C2=C(c3cc(F)ccc3C)CCC2)c1
InChIInChI=1S/C23H26FN/c1-5-17(4)25-20-12-15(2)11-18(13-20)21-7-6-8-22(21)23-14-19(24)10-9-16(23)3/h9-14,25H,4-8H2,1-3H3
InChIKeyHCCXZAAJFXJNNG-UHFFFAOYSA-N
MW335.47 g/mol
LogP6.87
Rot. Bonds5

About N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline

N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline (PubChem CID 142815864) has the molecular formula C23H26FN and a molecular weight of 335.47 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline
PubChem CID142815864
Molecular FormulaC23H26FN
Molecular Weight335.47 g/mol
Exact Mass335.20
IUPAC NameN-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline
SMILESC=C(CC)Nc1cc(C)cc(C2=C(c3cc(F)ccc3C)CCC2)c1
InChIInChI=1S/C23H26FN/c1-5-17(4)25-20-12-15(2)11-18(13-20)21-7-6-8-22(21)23-14-19(24)10-9-16(23)3/h9-14,25H,4-8H2,1-3H3
InChIKeyHCCXZAAJFXJNNG-UHFFFAOYSA-N
XLogP6.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline?
The IUPAC name of N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline (CID 142815864) is N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline.
What is the SMILES notation for N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline?
The canonical SMILES for N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline is C=C(CC)Nc1cc(C)cc(C2=C(c3cc(F)ccc3C)CCC2)c1.
What is the InChIKey of N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline?
The InChIKey is HCCXZAAJFXJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN/c1-5-17(4)25-20-12-15(2)11-18(13-20)21-7-6-8-22(21)23-14-19(24)10-9-16(23)3/h9-14,25H,4-8H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline?
N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline has a molecular weight of 335.47 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-3-[2-(5-fluoro-2-methylphenyl)cyclopenten-1-yl]-5-methylaniline is sourced from PubChem (CID 142815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).