[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

C23H23FN2O3 — CID 120742767

IUPAC[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESNC[C@@H]1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-18-6-8-19(9-7-18)28-15-20-10-11-22(29-20)23(27)26-13-17(12-25)21(14-26)16-4-2-1-3-5-16/h1-11,17,21H,12-15,25H2/t17-,21+/m1/s1
InChIKeyCPKXQYLXJBWMES-UTKZUKDTSA-N
MW394.45 g/mol
LogP3.81
Rot. Bonds6

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (PubChem CID 120742767) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
PubChem CID120742767
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESNC[C@@H]1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-18-6-8-19(9-7-18)28-15-20-10-11-22(29-20)23(27)26-13-17(12-25)21(14-26)16-4-2-1-3-5-16/h1-11,17,21H,12-15,25H2/t17-,21+/m1/s1
InChIKeyCPKXQYLXJBWMES-UTKZUKDTSA-N
XLogP3.81
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 120742038
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124700763
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 122148050
N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470195
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 120744914
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride
CID 120744171
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 27799823

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (CID 120742767) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is NC[C@@H]1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is CPKXQYLXJBWMES-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-18-6-8-19(9-7-18)28-15-20-10-11-22(29-20)23(27)26-13-17(12-25)21(14-26)16-4-2-1-3-5-16/h1-11,17,21H,12-15,25H2/t17-,21+/m1/s1.
What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 120742767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).