3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol

C23H34FNO2 — CID 42839275

IUPAC3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
SMILESCC(C)CN(Cc1ccc(C(O)(C(C)C)C(C)C)o1)Cc1ccccc1F
InChIInChI=1S/C23H34FNO2/c1-16(2)13-25(14-19-9-7-8-10-21(19)24)15-20-11-12-22(27-20)23(26,17(3)4)18(5)6/h7-12,16-18,26H,13-15H2,1-6H3
InChIKeyIFNRXGHIISUMBI-UHFFFAOYSA-N
MW375.53 g/mol
LogP5.58
Rot. Bonds9

About 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol

3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol (PubChem CID 42839275) has the molecular formula C23H34FNO2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
PubChem CID42839275
Molecular FormulaC23H34FNO2
Molecular Weight375.53 g/mol
Exact Mass375.26
IUPAC Name3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
SMILESCC(C)CN(Cc1ccc(C(O)(C(C)C)C(C)C)o1)Cc1ccccc1F
InChIInChI=1S/C23H34FNO2/c1-16(2)13-25(14-19-9-7-8-10-21(19)24)15-20-11-12-22(27-20)23(26,17(3)4)18(5)6/h7-12,16-18,26H,13-15H2,1-6H3
InChIKeyIFNRXGHIISUMBI-UHFFFAOYSA-N
XLogP5.58
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol with MolForge

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Related Compounds

3-[5-[[(2-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839287
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
3-[5-[[(3-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839367
[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017550
3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
CID 42838432
2,4-dimethyl-3-[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]penta-1,4-dien-3-ol
CID 42839317
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164298
5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017554
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 58597811
2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
CID 42836977
3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82327791
5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42750878

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol (CID 42839275) is 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol is CC(C)CN(Cc1ccc(C(O)(C(C)C)C(C)C)o1)Cc1ccccc1F.
What is the InChIKey of 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The InChIKey is IFNRXGHIISUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FNO2/c1-16(2)13-25(14-19-9-7-8-10-21(19)24)15-20-11-12-22(27-20)23(26,17(3)4)18(5)6/h7-12,16-18,26H,13-15H2,1-6H3.
What are the key properties of 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol has a molecular weight of 375.53 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 42839275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).