1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol

C14H21FN2O2 — CID 106674209

IUPAC1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
SMILESCNC(CCN1CC(O)C(O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-16-12(10-2-4-11(15)5-3-10)6-7-17-8-13(18)14(19)9-17/h2-5,12-14,16,18-19H,6-9H2,1H3
InChIKeyXSWSURPITJEHGP-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.51
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol

1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol (PubChem CID 106674209) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
PubChem CID106674209
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
SMILESCNC(CCN1CC(O)C(O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-16-12(10-2-4-11(15)5-3-10)6-7-17-8-13(18)14(19)9-17/h2-5,12-14,16,18-19H,6-9H2,1H3
InChIKeyXSWSURPITJEHGP-UHFFFAOYSA-N
XLogP0.51
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11425273
(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol
CID 2734057
(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol
CID 7021491
rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
CID 536645
1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
3-(Benzylamino)propane-1,2-diol
CID 2793828
(2R,3R,4S)-2-((((1S)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11414083
(2R,3R,4S,5R)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)-5-methylpyrrolidine-3,4-diol
CID 11963508
(2R,3R,4S)-2-[(benzylamino)methyl]pyrrolidine-3,4-diol
CID 10331137
(2R,3R,4R,5R)-5-(Benzylamino-methyl)-pyrrolidine-2,3,4-triol
CID 44398611
2-(Benzylamino-methyl)-pyrrolidine-3,4-diol
CID 44461894
1-(1,3-Dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol
CID 62206064

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol (CID 106674209) is 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol is CNC(CCN1CC(O)C(O)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol?
The InChIKey is XSWSURPITJEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-16-12(10-2-4-11(15)5-3-10)6-7-17-8-13(18)14(19)9-17/h2-5,12-14,16,18-19H,6-9H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol?
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol has a molecular weight of 268.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).