[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol

C20H27FN2O2 — CID 70713332

IUPAC[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO
InChIInChI=1S/C20H27FN2O2/c1-3-22(2)10-15-11-23(12-16(15)14-24)13-17-8-9-20(25-17)18-6-4-5-7-19(18)21/h4-9,15-16,24H,3,10-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyCBBIZKBUGGZZKV-HZPDHXFCSA-N
MW346.45 g/mol
LogP3.08
Rot. Bonds7

About [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 70713332) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID70713332
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCCN(C)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO
InChIInChI=1S/C20H27FN2O2/c1-3-22(2)10-15-11-23(12-16(15)14-24)13-17-8-9-20(25-17)18-6-4-5-7-19(18)21/h4-9,15-16,24H,3,10-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyCBBIZKBUGGZZKV-HZPDHXFCSA-N
XLogP3.08
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol (CID 70713332) is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol is CCN(C)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is CBBIZKBUGGZZKV-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-3-22(2)10-15-11-23(12-16(15)14-24)13-17-8-9-20(25-17)18-6-4-5-7-19(18)21/h4-9,15-16,24H,3,10-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 346.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70713332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).