1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine

C12H13FN2 — CID 117223103

IUPAC1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine
SMILESCCn1c(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-2-15-11(7-8-12(15)14)9-3-5-10(13)6-4-9/h3-8H,2,14H2,1H3
InChIKeyBQBSANLLLRIUED-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.90
Rot. Bonds2

About 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine

1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine (PubChem CID 117223103) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine
PubChem CID117223103
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine
SMILESCCn1c(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-2-15-11(7-8-12(15)14)9-3-5-10(13)6-4-9/h3-8H,2,14H2,1H3
InChIKeyBQBSANLLLRIUED-UHFFFAOYSA-N
XLogP2.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine?
The IUPAC name of 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine (CID 117223103) is 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine.
What is the SMILES notation for 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine?
The canonical SMILES for 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine is CCn1c(N)ccc1-c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine?
The InChIKey is BQBSANLLLRIUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-2-15-11(7-8-12(15)14)9-3-5-10(13)6-4-9/h3-8H,2,14H2,1H3.
What are the key properties of 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine?
1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine has a molecular weight of 204.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine is sourced from PubChem (CID 117223103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).