(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol

C16H19FN2O — CID 102613846

IUPAC(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CO)Cc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(14-8-15(17)10-18-9-14)19-16(11-20)7-13-5-3-2-4-6-13/h2-6,8-10,12,16,19-20H,7,11H2,1H3/t12?,16-/m0/s1
InChIKeyHSLMERCVQVMFLV-INSVYWFGSA-N
MW274.34 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol

(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 102613846) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID102613846
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CO)Cc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(14-8-15(17)10-18-9-14)19-16(11-20)7-13-5-3-2-4-6-13/h2-6,8-10,12,16,19-20H,7,11H2,1H3/t12?,16-/m0/s1
InChIKeyHSLMERCVQVMFLV-INSVYWFGSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol 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 (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol (CID 102613846) is (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol is CC(N[C@H](CO)Cc1ccccc1)c1cncc(F)c1.
What is the InChIKey of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is HSLMERCVQVMFLV-INSVYWFGSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(14-8-15(17)10-18-9-14)19-16(11-20)7-13-5-3-2-4-6-13/h2-6,8-10,12,16,19-20H,7,11H2,1H3/t12?,16-/m0/s1.
What are the key properties of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol?
(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102613846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).