bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol

C29H29F2NO3 — CID 46017527

IUPACbis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
SMILESCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC
InChIInChI=1S/C29H29F2NO3/c1-3-16-32(19-21-8-4-5-13-27(21)34-2)20-26-14-15-28(35-26)29(33,22-9-6-11-24(30)17-22)23-10-7-12-25(31)18-23/h4-15,17-18,33H,3,16,19-20H2,1-2H3
InChIKeyAZHFAOOPEJGOLP-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.26
Rot. Bonds10

About bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol

bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol (PubChem CID 46017527) has the molecular formula C29H29F2NO3 and a molecular weight of 477.55 g/mol. Its IUPAC name is bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Namebis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
PubChem CID46017527
Molecular FormulaC29H29F2NO3
Molecular Weight477.55 g/mol
Exact Mass477.21
IUPAC Namebis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
SMILESCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC
InChIInChI=1S/C29H29F2NO3/c1-3-16-32(19-21-8-4-5-13-27(21)34-2)20-26-14-15-28(35-26)29(33,22-9-6-11-24(30)17-22)23-10-7-12-25(31)18-23/h4-15,17-18,33H,3,16,19-20H2,1-2H3
InChIKeyAZHFAOOPEJGOLP-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
CID 46017730
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46015500
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498
3-[5-[[(2-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839287
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
4-[5-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46017576
[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 46017671
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709

Frequently Asked Questions

What is the IUPAC name of bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol?
The IUPAC name of bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol (CID 46017527) is bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol is CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC.
What is the InChIKey of bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol?
The InChIKey is AZHFAOOPEJGOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2NO3/c1-3-16-32(19-21-8-4-5-13-27(21)34-2)20-26-14-15-28(35-26)29(33,22-9-6-11-24(30)17-22)23-10-7-12-25(31)18-23/h4-15,17-18,33H,3,16,19-20H2,1-2H3.
What are the key properties of bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol?
bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol has a molecular weight of 477.55 g/mol, XLogP of 6.26, 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-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46017527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).