[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol

C28H28FNO2 — CID 46017730

IUPAC[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
SMILESCCCN(Cc1cccc(F)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H28FNO2/c1-2-18-30(20-22-10-9-15-25(29)19-22)21-26-16-17-27(32-26)28(31,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-17,19,31H,2,18,20-21H2,1H3
InChIKeyXLQUQWLXDLTTNF-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.12
Rot. Bonds9

About [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol

[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol (PubChem CID 46017730) has the molecular formula C28H28FNO2 and a molecular weight of 429.54 g/mol. Its IUPAC name is [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
PubChem CID46017730
Molecular FormulaC28H28FNO2
Molecular Weight429.54 g/mol
Exact Mass429.21
IUPAC Name[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
SMILESCCCN(Cc1cccc(F)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H28FNO2/c1-2-18-30(20-22-10-9-15-25(29)19-22)21-26-16-17-27(32-26)28(31,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-17,19,31H,2,18,20-21H2,1H3
InChIKeyXLQUQWLXDLTTNF-UHFFFAOYSA-N
XLogP6.12
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46017527
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
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
3-[5-[[(3-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839367
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol?
The IUPAC name of [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol (CID 46017730) is [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol is CCCN(Cc1cccc(F)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol?
The InChIKey is XLQUQWLXDLTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO2/c1-2-18-30(20-22-10-9-15-25(29)19-22)21-26-16-17-27(32-26)28(31,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-17,19,31H,2,18,20-21H2,1H3.
What are the key properties of [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol?
[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol has a molecular weight of 429.54 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol is sourced from PubChem (CID 46017730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).