[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol

C30H29F2NO3 — CID 93182689

IUPAC[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)(c1cccc(F)c1)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C30H29F2NO3/c31-25-11-4-9-23(17-25)30(34,24-10-5-12-26(32)18-24)29-15-14-28(36-29)21-33(20-27-13-6-16-35-27)19-22-7-2-1-3-8-22/h1-5,7-12,14-15,17-18,27,34H,6,13,16,19-21H2/t27-/m1/s1
InChIKeyDFQVGTWRFDWZLE-HHHXNRCGSA-N
MW489.56 g/mol
LogP6.02
Rot. Bonds9

About [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol

[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol (PubChem CID 93182689) has the molecular formula C30H29F2NO3 and a molecular weight of 489.56 g/mol. Its IUPAC name is [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol.

Molecular Properties

Compound Name[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
PubChem CID93182689
Molecular FormulaC30H29F2NO3
Molecular Weight489.56 g/mol
Exact Mass489.21
IUPAC Name[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)(c1cccc(F)c1)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C30H29F2NO3/c31-25-11-4-9-23(17-25)30(34,24-10-5-12-26(32)18-24)29-15-14-28(36-29)21-33(20-27-13-6-16-35-27)19-22-7-2-1-3-8-22/h1-5,7-12,14-15,17-18,27,34H,6,13,16,19-21H2/t27-/m1/s1
InChIKeyDFQVGTWRFDWZLE-HHHXNRCGSA-N
XLogP6.02
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol with MolForge

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Related Compounds

[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
CID 46014037
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93182685
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
[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]-2-methoxyphenol
CID 43818526
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol?
The IUPAC name of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol (CID 93182689) is [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol.
What is the SMILES notation for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol?
The canonical SMILES for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol is OC(c1cccc(F)c1)(c1cccc(F)c1)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1.
What is the InChIKey of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol?
The InChIKey is DFQVGTWRFDWZLE-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H29F2NO3/c31-25-11-4-9-23(17-25)30(34,24-10-5-12-26(32)18-24)29-15-14-28(36-29)21-33(20-27-13-6-16-35-27)19-22-7-2-1-3-8-22/h1-5,7-12,14-15,17-18,27,34H,6,13,16,19-21H2/t27-/m1/s1.
What are the key properties of [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol?
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol has a molecular weight of 489.56 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol is sourced from PubChem (CID 93182689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).