2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol

C20H27FN2O3 — CID 70768320

IUPAC2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO
InChIInChI=1S/C20H27FN2O3/c1-22(8-9-24)10-15-11-23(12-16(15)14-25)13-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,15-16,24-25H,8-14H2,1H3/t15-,16-/m1/s1
InChIKeyKOWKFMGTCLODFY-HZPDHXFCSA-N
MW362.44 g/mol
LogP2.05
Rot. Bonds8

About 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol

2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol (PubChem CID 70768320) has the molecular formula C20H27FN2O3 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol
PubChem CID70768320
Molecular FormulaC20H27FN2O3
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO
InChIInChI=1S/C20H27FN2O3/c1-22(8-9-24)10-15-11-23(12-16(15)14-25)13-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,15-16,24-25H,8-14H2,1H3/t15-,16-/m1/s1
InChIKeyKOWKFMGTCLODFY-HZPDHXFCSA-N
XLogP2.05
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol (CID 70768320) is 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol is CN(CCO)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO.
What is the InChIKey of 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The InChIKey is KOWKFMGTCLODFY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-22(8-9-24)10-15-11-23(12-16(15)14-25)13-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,15-16,24-25H,8-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol has a molecular weight of 362.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70768320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).