6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine

C17H19FN2 — CID 116813035

IUPAC6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
SMILESFc1cccc(NC2CCCCC2c2ccccc2)n1
InChIInChI=1S/C17H19FN2/c18-16-11-6-12-17(20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,6-8,11-12,14-15H,4-5,9-10H2,(H,19,20)
InChIKeyMOAZHSOUUHJKOO-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.36
Rot. Bonds3

About 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine

6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine (PubChem CID 116813035) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
PubChem CID116813035
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
SMILESFc1cccc(NC2CCCCC2c2ccccc2)n1
InChIInChI=1S/C17H19FN2/c18-16-11-6-12-17(20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,6-8,11-12,14-15H,4-5,9-10H2,(H,19,20)
InChIKeyMOAZHSOUUHJKOO-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine (CID 116813035) is 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine is Fc1cccc(NC2CCCCC2c2ccccc2)n1.
What is the InChIKey of 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine?
The InChIKey is MOAZHSOUUHJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-11-6-12-17(20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,6-8,11-12,14-15H,4-5,9-10H2,(H,19,20).
What are the key properties of 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine?
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine has a molecular weight of 270.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 116813035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).