2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol

C20H20FNO3 — CID 111113377

IUPAC2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccccc1CN(Cc1ccco1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-17-9-7-15(8-10-17)20(24)14-22(13-18-5-3-11-25-18)12-16-4-1-2-6-19(16)23/h1-11,20,23-24H,12-14H2
InChIKeyFBBZSVOHBVBEGW-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.86
Rot. Bonds7

About 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol

2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol (PubChem CID 111113377) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol
PubChem CID111113377
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccccc1CN(Cc1ccco1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-17-9-7-15(8-10-17)20(24)14-22(13-18-5-3-11-25-18)12-16-4-1-2-6-19(16)23/h1-11,20,23-24H,12-14H2
InChIKeyFBBZSVOHBVBEGW-UHFFFAOYSA-N
XLogP3.86
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
2-[[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 7872390
(2S)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]hex-5-en-2-ol
CID 93164306
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164298
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan
CID 154873234
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164792
(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164184

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol (CID 111113377) is 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol is Oc1ccccc1CN(Cc1ccco1)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is FBBZSVOHBVBEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-9-7-15(8-10-17)20(24)14-22(13-18-5-3-11-25-18)12-16-4-1-2-6-19(16)23/h1-11,20,23-24H,12-14H2.
What are the key properties of 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol?
2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 341.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 111113377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).