5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine

C11H11FN2O — CID 96617521

IUPAC5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
SMILESCOc1c(F)cccc1-c1cc(N)c[nH]1
InChIInChI=1S/C11H11FN2O/c1-15-11-8(3-2-4-9(11)12)10-5-7(13)6-14-10/h2-6,14H,13H2,1H3
InChIKeyQJBYCCPPJBZGQY-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.41
Rot. Bonds2

About 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine

5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine (PubChem CID 96617521) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
PubChem CID96617521
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
SMILESCOc1c(F)cccc1-c1cc(N)c[nH]1
InChIInChI=1S/C11H11FN2O/c1-15-11-8(3-2-4-9(11)12)10-5-7(13)6-14-10/h2-6,14H,13H2,1H3
InChIKeyQJBYCCPPJBZGQY-UHFFFAOYSA-N
XLogP2.41
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine?
The IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine (CID 96617521) is 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine is COc1c(F)cccc1-c1cc(N)c[nH]1.
What is the InChIKey of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine?
The InChIKey is QJBYCCPPJBZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-15-11-8(3-2-4-9(11)12)10-5-7(13)6-14-10/h2-6,14H,13H2,1H3.
What are the key properties of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine?
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 96617521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).