2-fluoro-N-(2-phenylpropyl)pyridin-4-amine

C14H15FN2 — CID 104592076

IUPAC2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
SMILESCC(CNc1ccnc(F)c1)c1ccccc1
InChIInChI=1S/C14H15FN2/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H,16,17)
InChIKeyZOHUTTMKVFGJGX-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.44
Rot. Bonds4

About 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine

2-fluoro-N-(2-phenylpropyl)pyridin-4-amine (PubChem CID 104592076) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
PubChem CID104592076
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
SMILESCC(CNc1ccnc(F)c1)c1ccccc1
InChIInChI=1S/C14H15FN2/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H,16,17)
InChIKeyZOHUTTMKVFGJGX-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.44
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 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine?
The IUPAC name of 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine (CID 104592076) is 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine is CC(CNc1ccnc(F)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine?
The InChIKey is ZOHUTTMKVFGJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine?
2-fluoro-N-(2-phenylpropyl)pyridin-4-amine has a molecular weight of 230.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 104592076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).