1-N-cyclopentyl-3-fluorobenzene-1,2-diamine

C11H15FN2 — CID 60783191

IUPAC1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NC1CCCC1
InChIInChI=1S/C11H15FN2/c12-9-6-3-7-10(11(9)13)14-8-4-1-2-5-8/h3,6-8,14H,1-2,4-5,13H2
InChIKeyHSGVYMITGVIZKD-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.76
Rot. Bonds2

About 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine

1-N-cyclopentyl-3-fluorobenzene-1,2-diamine (PubChem CID 60783191) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
PubChem CID60783191
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NC1CCCC1
InChIInChI=1S/C11H15FN2/c12-9-6-3-7-10(11(9)13)14-8-4-1-2-5-8/h3,6-8,14H,1-2,4-5,13H2
InChIKeyHSGVYMITGVIZKD-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine 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-N-cyclopentyl-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine (CID 60783191) is 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine is Nc1c(F)cccc1NC1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine?
The InChIKey is HSGVYMITGVIZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-9-6-3-7-10(11(9)13)14-8-4-1-2-5-8/h3,6-8,14H,1-2,4-5,13H2.
What are the key properties of 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine?
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 60783191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).