[1-(2-fluoropropyl)pyrrol-3-yl]methanamine

C8H13FN2 — CID 84650389

IUPAC[1-(2-fluoropropyl)pyrrol-3-yl]methanamine
SMILESCC(F)Cn1ccc(CN)c1
InChIInChI=1S/C8H13FN2/c1-7(9)5-11-3-2-8(4-10)6-11/h2-3,6-7H,4-5,10H2,1H3
InChIKeyHZZYNLFWJHONGH-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.30
Rot. Bonds3

About [1-(2-fluoropropyl)pyrrol-3-yl]methanamine

[1-(2-fluoropropyl)pyrrol-3-yl]methanamine (PubChem CID 84650389) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is [1-(2-fluoropropyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoropropyl)pyrrol-3-yl]methanamine
PubChem CID84650389
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name[1-(2-fluoropropyl)pyrrol-3-yl]methanamine
SMILESCC(F)Cn1ccc(CN)c1
InChIInChI=1S/C8H13FN2/c1-7(9)5-11-3-2-8(4-10)6-11/h2-3,6-7H,4-5,10H2,1H3
InChIKeyHZZYNLFWJHONGH-UHFFFAOYSA-N
XLogP1.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2-fluoropropyl)pyrrol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoropropyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(2-fluoropropyl)pyrrol-3-yl]methanamine (CID 84650389) is [1-(2-fluoropropyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2-fluoropropyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2-fluoropropyl)pyrrol-3-yl]methanamine is CC(F)Cn1ccc(CN)c1.
What is the InChIKey of [1-(2-fluoropropyl)pyrrol-3-yl]methanamine?
The InChIKey is HZZYNLFWJHONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(9)5-11-3-2-8(4-10)6-11/h2-3,6-7H,4-5,10H2,1H3.
What are the key properties of [1-(2-fluoropropyl)pyrrol-3-yl]methanamine?
[1-(2-fluoropropyl)pyrrol-3-yl]methanamine has a molecular weight of 156.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoropropyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 84650389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).