(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol

C16H20FN3O — CID 68670830

IUPAC(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol
SMILESCN(C[C@@H](O)[C@@H](N)Cc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C16H20FN3O/c1-20(14-8-13(17)9-19-10-14)11-16(21)15(18)7-12-5-3-2-4-6-12/h2-6,8-10,15-16,21H,7,11,18H2,1H3/t15-,16+/m0/s1
InChIKeyBIEDXIYEUQXVGR-JKSUJKDBSA-N
MW289.35 g/mol
LogP1.59
Rot. Bonds6

About (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol

(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol (PubChem CID 68670830) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol
PubChem CID68670830
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol
SMILESCN(C[C@@H](O)[C@@H](N)Cc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C16H20FN3O/c1-20(14-8-13(17)9-19-10-14)11-16(21)15(18)7-12-5-3-2-4-6-12/h2-6,8-10,15-16,21H,7,11,18H2,1H3/t15-,16+/m0/s1
InChIKeyBIEDXIYEUQXVGR-JKSUJKDBSA-N
XLogP1.59
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol (CID 68670830) is (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol is CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)c1cncc(F)c1.
What is the InChIKey of (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol?
The InChIKey is BIEDXIYEUQXVGR-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-20(14-8-13(17)9-19-10-14)11-16(21)15(18)7-12-5-3-2-4-6-12/h2-6,8-10,15-16,21H,7,11,18H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)-methylamino]-4-phenylbutan-2-ol is sourced from PubChem (CID 68670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).