[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol

C30H31NO3 — CID 46014037

IUPAC[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc(CN(Cc2ccccc2)CC2CCCO2)o1
InChIInChI=1S/C30H31NO3/c32-30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)29-19-18-28(34-29)23-31(22-27-17-10-20-33-27)21-24-11-4-1-5-12-24/h1-9,11-16,18-19,27,32H,10,17,20-23H2
InChIKeyPPFLGTQZKKZBFJ-UHFFFAOYSA-N
MW453.58 g/mol
LogP5.74
Rot. Bonds9

About [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol

[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol (PubChem CID 46014037) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
PubChem CID46014037
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc(CN(Cc2ccccc2)CC2CCCO2)o1
InChIInChI=1S/C30H31NO3/c32-30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)29-19-18-28(34-29)23-31(22-27-17-10-20-33-27)21-24-11-4-1-5-12-24/h1-9,11-16,18-19,27,32H,10,17,20-23H2
InChIKeyPPFLGTQZKKZBFJ-UHFFFAOYSA-N
XLogP5.74
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
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
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46015956
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93193958
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol?
The IUPAC name of [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol (CID 46014037) is [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ccc(CN(Cc2ccccc2)CC2CCCO2)o1.
What is the InChIKey of [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol?
The InChIKey is PPFLGTQZKKZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c32-30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)29-19-18-28(34-29)23-31(22-27-17-10-20-33-27)21-24-11-4-1-5-12-24/h1-9,11-16,18-19,27,32H,10,17,20-23H2.
What are the key properties of [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol?
[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol has a molecular weight of 453.58 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol is sourced from PubChem (CID 46014037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).