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

C11H11FN2 — CID 67579418

IUPAC5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine
SMILESCc1cc(C2=NC(N)C=C2)ccc1F
InChIInChI=1S/C11H11FN2/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-6,11H,13H2,1H3
InChIKeyWIJJEALSNJLXLX-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.78
Rot. Bonds1

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

5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine (PubChem CID 67579418) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine
PubChem CID67579418
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine
SMILESCc1cc(C2=NC(N)C=C2)ccc1F
InChIInChI=1S/C11H11FN2/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-6,11H,13H2,1H3
InChIKeyWIJJEALSNJLXLX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine (CID 67579418) is 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine is Cc1cc(C2=NC(N)C=C2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine?
The InChIKey is WIJJEALSNJLXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-6,11H,13H2,1H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine?
5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine has a molecular weight of 190.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine is sourced from PubChem (CID 67579418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).