bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol

C29H29F2NO3 — CID 46017738

IUPACbis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
SMILESCOCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1C
InChIInChI=1S/C29H29F2NO3/c1-21-7-3-4-8-22(21)19-32(15-16-34-2)20-27-13-14-28(35-27)29(33,23-9-5-11-25(30)17-23)24-10-6-12-26(31)18-24/h3-14,17-18,33H,15-16,19-20H2,1-2H3
InChIKeyUOFNCVNNOFGRFT-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.80
Rot. Bonds10

About bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol

bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol (PubChem CID 46017738) has the molecular formula C29H29F2NO3 and a molecular weight of 477.55 g/mol. Its IUPAC name is bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Namebis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
PubChem CID46017738
Molecular FormulaC29H29F2NO3
Molecular Weight477.55 g/mol
Exact Mass477.21
IUPAC Namebis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
SMILESCOCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1C
InChIInChI=1S/C29H29F2NO3/c1-21-7-3-4-8-22(21)19-32(15-16-34-2)20-27-13-14-28(35-27)29(33,23-9-5-11-25(30)17-23)24-10-6-12-26(31)18-24/h3-14,17-18,33H,15-16,19-20H2,1-2H3
InChIKeyUOFNCVNNOFGRFT-UHFFFAOYSA-N
XLogP5.80
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46017527
[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
CID 46017730
bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46015500
[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46017787
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 42839379
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
3-[5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839247
[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 46017671
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956

Frequently Asked Questions

What is the IUPAC name of bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol (CID 46017738) is bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol is COCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1C.
What is the InChIKey of bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is UOFNCVNNOFGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2NO3/c1-21-7-3-4-8-22(21)19-32(15-16-34-2)20-27-13-14-28(35-27)29(33,23-9-5-11-25(30)17-23)24-10-6-12-26(31)18-24/h3-14,17-18,33H,15-16,19-20H2,1-2H3.
What are the key properties of bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol?
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 477.55 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46017738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).