2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol

C17H21FN2O — CID 25115472

IUPAC2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol
SMILESCC(CCc1ccc(F)nc1)NCC(O)c1ccccc1
InChIInChI=1S/C17H21FN2O/c1-13(7-8-14-9-10-17(18)20-11-14)19-12-16(21)15-5-3-2-4-6-15/h2-6,9-11,13,16,19,21H,7-8,12H2,1H3
InChIKeyCOXJNAMVVZAMTG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol

2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol (PubChem CID 25115472) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol
PubChem CID25115472
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol
SMILESCC(CCc1ccc(F)nc1)NCC(O)c1ccccc1
InChIInChI=1S/C17H21FN2O/c1-13(7-8-14-9-10-17(18)20-11-14)19-12-16(21)15-5-3-2-4-6-15/h2-6,9-11,13,16,19,21H,7-8,12H2,1H3
InChIKeyCOXJNAMVVZAMTG-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol 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 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol?
The IUPAC name of 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol (CID 25115472) is 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol.
What is the SMILES notation for 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol?
The canonical SMILES for 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol is CC(CCc1ccc(F)nc1)NCC(O)c1ccccc1.
What is the InChIKey of 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol?
The InChIKey is COXJNAMVVZAMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13(7-8-14-9-10-17(18)20-11-14)19-12-16(21)15-5-3-2-4-6-15/h2-6,9-11,13,16,19,21H,7-8,12H2,1H3.
What are the key properties of 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol?
2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol has a molecular weight of 288.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol is sourced from PubChem (CID 25115472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).