3-fluoro-N,4-dimethylazepin-4-amine

C8H11FN2 — CID 146416574

IUPAC3-fluoro-N,4-dimethylazepin-4-amine
SMILESCNC1(C)C=CC=NC=C1F
InChIInChI=1S/C8H11FN2/c1-8(10-2)4-3-5-11-6-7(8)9/h3-6,10H,1-2H3
InChIKeyJRWHBHOJZTTWEG-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.42
Rot. Bonds1

About 3-fluoro-N,4-dimethylazepin-4-amine

3-fluoro-N,4-dimethylazepin-4-amine (PubChem CID 146416574) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethylazepin-4-amine.

Molecular Properties

Compound Name3-fluoro-N,4-dimethylazepin-4-amine
PubChem CID146416574
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-fluoro-N,4-dimethylazepin-4-amine
SMILESCNC1(C)C=CC=NC=C1F
InChIInChI=1S/C8H11FN2/c1-8(10-2)4-3-5-11-6-7(8)9/h3-6,10H,1-2H3
InChIKeyJRWHBHOJZTTWEG-UHFFFAOYSA-N
XLogP1.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N,4-dimethylazepin-4-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 3-fluoro-N,4-dimethylazepin-4-amine?
The IUPAC name of 3-fluoro-N,4-dimethylazepin-4-amine (CID 146416574) is 3-fluoro-N,4-dimethylazepin-4-amine.
What is the SMILES notation for 3-fluoro-N,4-dimethylazepin-4-amine?
The canonical SMILES for 3-fluoro-N,4-dimethylazepin-4-amine is CNC1(C)C=CC=NC=C1F.
What is the InChIKey of 3-fluoro-N,4-dimethylazepin-4-amine?
The InChIKey is JRWHBHOJZTTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-8(10-2)4-3-5-11-6-7(8)9/h3-6,10H,1-2H3.
What are the key properties of 3-fluoro-N,4-dimethylazepin-4-amine?
3-fluoro-N,4-dimethylazepin-4-amine has a molecular weight of 154.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethylazepin-4-amine is sourced from PubChem (CID 146416574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).