2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine

C12H13FN2 — CID 171060700

IUPAC2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-14(2)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-9H,1-2H3
InChIKeyIHKGVCVOYROGFS-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine

2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine (PubChem CID 171060700) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine
PubChem CID171060700
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-14(2)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-9H,1-2H3
InChIKeyIHKGVCVOYROGFS-UHFFFAOYSA-N
XLogP2.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine 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 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine (CID 171060700) is 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine?
The InChIKey is IHKGVCVOYROGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-14(2)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-9H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine?
2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 171060700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).