3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol

C20H18F3NO3 — CID 155964433

IUPAC3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol
SMILESOc1ccc(CN(Cc2cc(O)cc(C(F)(F)F)c2)Cc2ccco2)cc1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)16-8-15(9-18(26)10-16)12-24(13-19-2-1-7-27-19)11-14-3-5-17(25)6-4-14/h1-10,25-26H,11-13H2
InChIKeyFDQAZUIARCWNSA-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.91
Rot. Bonds6

About 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol

3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol (PubChem CID 155964433) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol
PubChem CID155964433
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol
SMILESOc1ccc(CN(Cc2cc(O)cc(C(F)(F)F)c2)Cc2ccco2)cc1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)16-8-15(9-18(26)10-16)12-24(13-19-2-1-7-27-19)11-14-3-5-17(25)6-4-14/h1-10,25-26H,11-13H2
InChIKeyFDQAZUIARCWNSA-UHFFFAOYSA-N
XLogP4.91
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-({3-(2-Hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]-1-piperazinyl}methyl)phenol
CID 16187707
4-({[(Furan-2-yl)methyl]amino}methyl)phenol
CID 4279464
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-furan-2-ylmethyl-2-phenyl-piperidine
CID 10552836
3-(1-Furan-2-ylmethyl-3,4-dimethyl-piperidin-4-yl)-phenol
CID 11778696
3-ethoxy-N-(4-fluorobenzyl)-N-(furan-2-ylmethyl)benzamide
CID 16014378
2-Fluoro-N-[(furan-2-YL)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 4257401
2-[[Furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
CID 4832190
N-(3-fluorobenzyl)-N-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 16014388
N-(2-fluorobenzyl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 16014406
1-(Furan-2-ylmethyl)-1-[(4-hydroxyphenyl)methyl]-3,3-dimethylurea
CID 44582261
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine
CID 44211409
(3-Fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 53193306

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol (CID 155964433) is 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol is Oc1ccc(CN(Cc2cc(O)cc(C(F)(F)F)c2)Cc2ccco2)cc1.
What is the InChIKey of 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol?
The InChIKey is FDQAZUIARCWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-20(22,23)16-8-15(9-18(26)10-16)12-24(13-19-2-1-7-27-19)11-14-3-5-17(25)6-4-14/h1-10,25-26H,11-13H2.
What are the key properties of 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol?
3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol has a molecular weight of 377.36 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-ylmethyl-[(4-hydroxyphenyl)methyl]amino]methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155964433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).