1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C16H26FN3O — CID 66053507

IUPAC1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCC(N)c1cccc(F)c1
InChIInChI=1S/C16H26FN3O/c1-19(2)10-14-9-15(21)11-20(14)7-6-16(18)12-4-3-5-13(17)8-12/h3-5,8,14-16,21H,6-7,9-11,18H2,1-2H3
InChIKeyJEUVKHIIVPXSBZ-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.21
Rot. Bonds6

About 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053507) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053507
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCC(N)c1cccc(F)c1
InChIInChI=1S/C16H26FN3O/c1-19(2)10-14-9-15(21)11-20(14)7-6-16(18)12-4-3-5-13(17)8-12/h3-5,8,14-16,21H,6-7,9-11,18H2,1-2H3
InChIKeyJEUVKHIIVPXSBZ-UHFFFAOYSA-N
XLogP1.21
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
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
1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
(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
(2S,3S)-4-(methylamino)-3-[[(2S)-2-phenyl-2-(3-phenylpropylamino)ethyl]amino]butan-2-ol
CID 24792592
2-(Benzylamino-methyl)-pyrrolidine-3,4-diol
CID 44461894
5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione
CID 16745775
2-[((R)-1-Phenyl-ethylamino)-methyl]-pyrrolidine-3,4-diol
CID 44461885
2-{[(1-Benzyl-piperidin-4-ylmethyl)-amino]-methyl}-pyrrolidine-3,4-diol
CID 44462072
N-Benzyl-N-(3,4-dihydroxy-pyrrolidin-2-ylmethyl)-acetamide
CID 44462135

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053507) is 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is JEUVKHIIVPXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-19(2)10-14-9-15(21)11-20(14)7-6-16(18)12-4-3-5-13(17)8-12/h3-5,8,14-16,21H,6-7,9-11,18H2,1-2H3.
What are the key properties of 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 295.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).