[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium

C19H21N2O2+ — CID 7425319

IUPAC[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium
SMILESC[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-14(22)15-5-7-16(8-6-15)19-10-9-18(23-19)13-20-12-17-4-2-3-11-21-17/h2-11,14,20,22H,12-13H2,1H3/p+1/t14-/m1/s1
InChIKeyUVHNYMJJPWUOMI-CQSZACIVSA-O
MW309.39 g/mol
LogP2.66
Rot. Bonds6

About [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium

[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium (PubChem CID 7425319) has the molecular formula C19H21N2O2+ and a molecular weight of 309.39 g/mol. Its IUPAC name is [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium
PubChem CID7425319
Molecular FormulaC19H21N2O2+
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium
SMILESC[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-14(22)15-5-7-16(8-6-15)19-10-9-18(23-19)13-20-12-17-4-2-3-11-21-17/h2-11,14,20,22H,12-13H2,1H3/p+1/t14-/m1/s1
InChIKeyUVHNYMJJPWUOMI-CQSZACIVSA-O
XLogP2.66
TPSA62.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium with MolForge

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Related Compounds

(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 8639058
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8622226
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium (CID 7425319) is [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium is C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1.
What is the InChIKey of [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium?
The InChIKey is UVHNYMJJPWUOMI-CQSZACIVSA-O. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)15-5-7-16(8-6-15)19-10-9-18(23-19)13-20-12-17-4-2-3-11-21-17/h2-11,14,20,22H,12-13H2,1H3/p+1/t14-/m1/s1.
What are the key properties of [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium?
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium has a molecular weight of 309.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7425319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).