(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol

C18H17FN2O2 — CID 99854295

IUPAC(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol
SMILESO[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1
InChIInChI=1S/C18H17FN2O2/c19-14-8-9-15(20-11-14)18(13-5-2-1-3-6-13)21-12-16(22)17-7-4-10-23-17/h1-11,16,18,21-22H,12H2/t16-,18+/m0/s1
InChIKeyUZMCAPVSEXKTNH-FUHWJXTLSA-N
MW312.34 g/mol
LogP3.23
Rot. Bonds6

About (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 99854295) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol
PubChem CID99854295
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol
SMILESO[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1
InChIInChI=1S/C18H17FN2O2/c19-14-8-9-15(20-11-14)18(13-5-2-1-3-6-13)21-12-16(22)17-7-4-10-23-17/h1-11,16,18,21-22H,12H2/t16-,18+/m0/s1
InChIKeyUZMCAPVSEXKTNH-FUHWJXTLSA-N
XLogP3.23
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
3-[[(S)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 99777414
3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 91648000
1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol
CID 110013100
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
CID 99852082
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
CID 103952261

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol (CID 99854295) is (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol is O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1.
What is the InChIKey of (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is UZMCAPVSEXKTNH-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-8-9-15(20-11-14)18(13-5-2-1-3-6-13)21-12-16(22)17-7-4-10-23-17/h1-11,16,18,21-22H,12H2/t16-,18+/m0/s1.
What are the key properties of (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 312.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(R)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 99854295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).