3-(3-aminophenyl)-1-ethylpyrrol-2-amine

C12H15N3 — CID 117222941

IUPAC3-(3-aminophenyl)-1-ethylpyrrol-2-amine
SMILESCCn1ccc(-c2cccc(N)c2)c1N
InChIInChI=1S/C12H15N3/c1-2-15-7-6-11(12(15)14)9-4-3-5-10(13)8-9/h3-8H,2,13-14H2,1H3
InChIKeyLGBNGULZBPUQGT-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds2

About 3-(3-aminophenyl)-1-ethylpyrrol-2-amine

3-(3-aminophenyl)-1-ethylpyrrol-2-amine (PubChem CID 117222941) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-ethylpyrrol-2-amine.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-ethylpyrrol-2-amine
PubChem CID117222941
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(3-aminophenyl)-1-ethylpyrrol-2-amine
SMILESCCn1ccc(-c2cccc(N)c2)c1N
InChIInChI=1S/C12H15N3/c1-2-15-7-6-11(12(15)14)9-4-3-5-10(13)8-9/h3-8H,2,13-14H2,1H3
InChIKeyLGBNGULZBPUQGT-UHFFFAOYSA-N
XLogP2.34
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-ethylpyrrol-2-amine?
The IUPAC name of 3-(3-aminophenyl)-1-ethylpyrrol-2-amine (CID 117222941) is 3-(3-aminophenyl)-1-ethylpyrrol-2-amine.
What is the SMILES notation for 3-(3-aminophenyl)-1-ethylpyrrol-2-amine?
The canonical SMILES for 3-(3-aminophenyl)-1-ethylpyrrol-2-amine is CCn1ccc(-c2cccc(N)c2)c1N.
What is the InChIKey of 3-(3-aminophenyl)-1-ethylpyrrol-2-amine?
The InChIKey is LGBNGULZBPUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-15-7-6-11(12(15)14)9-4-3-5-10(13)8-9/h3-8H,2,13-14H2,1H3.
What are the key properties of 3-(3-aminophenyl)-1-ethylpyrrol-2-amine?
3-(3-aminophenyl)-1-ethylpyrrol-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-ethylpyrrol-2-amine is sourced from PubChem (CID 117222941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).