5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine

C11H11FN2 — CID 90326420

IUPAC5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine
SMILESCc1ccc(C2=CCC(N)=N2)c(F)c1
InChIInChI=1S/C11H11FN2/c1-7-2-3-8(9(12)6-7)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyXDTDXBIFVGKCMI-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.24
Rot. Bonds1

About 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine

5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine (PubChem CID 90326420) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine
PubChem CID90326420
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine
SMILESCc1ccc(C2=CCC(N)=N2)c(F)c1
InChIInChI=1S/C11H11FN2/c1-7-2-3-8(9(12)6-7)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyXDTDXBIFVGKCMI-UHFFFAOYSA-N
XLogP2.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine (CID 90326420) is 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine is Cc1ccc(C2=CCC(N)=N2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine?
The InChIKey is XDTDXBIFVGKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-7-2-3-8(9(12)6-7)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine?
5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine has a molecular weight of 190.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine is sourced from PubChem (CID 90326420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).