5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine

C14H13Cl2FN2 — CID 105059599

IUPAC5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESCC(CCl)(Nc1ncc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H13Cl2FN2/c1-14(9-15,10-5-3-2-4-6-10)19-13-12(17)7-11(16)8-18-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRPLKWWYDAYPOLS-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine

5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine (PubChem CID 105059599) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine
PubChem CID105059599
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESCC(CCl)(Nc1ncc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H13Cl2FN2/c1-14(9-15,10-5-3-2-4-6-10)19-13-12(17)7-11(16)8-18-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRPLKWWYDAYPOLS-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-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 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine (CID 105059599) is 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine is CC(CCl)(Nc1ncc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
The InChIKey is RPLKWWYDAYPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-14(9-15,10-5-3-2-4-6-10)19-13-12(17)7-11(16)8-18-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine?
5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine has a molecular weight of 299.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105059599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).