(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine

C17H24FN3 — CID 126449938

IUPAC(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1[C@@H]2CC[C@H]1CN([C@H]1CCN(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C17H24FN3/c18-14-3-5-15(6-4-14)20-8-7-16(11-20)21-9-12-1-2-13(10-21)17(12)19/h3-6,12-13,16-17H,1-2,7-11,19H2/t12-,13+,16-,17?/m0/s1
InChIKeyVEJVGFSTGPLBSX-XLKCZGELSA-N
MW289.40 g/mol
LogP2.07
Rot. Bonds2

About (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine

(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 126449938) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID126449938
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1[C@@H]2CC[C@H]1CN([C@H]1CCN(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C17H24FN3/c18-14-3-5-15(6-4-14)20-8-7-16(11-20)21-9-12-1-2-13(10-21)17(12)19/h3-6,12-13,16-17H,1-2,7-11,19H2/t12-,13+,16-,17?/m0/s1
InChIKeyVEJVGFSTGPLBSX-XLKCZGELSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine with MolForge

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Related Compounds

(1S,5R)-3-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154904520
(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154914596
1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4-diazepane
CID 125041821
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131942648
[(3S)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-3-yl]-phenylmethanone
CID 98640972
9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162637257
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine (CID 126449938) is (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine is NC1[C@@H]2CC[C@H]1CN([C@H]1CCN(c3ccc(F)cc3)C1)C2.
What is the InChIKey of (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is VEJVGFSTGPLBSX-XLKCZGELSA-N. The full InChI is InChI=1S/C17H24FN3/c18-14-3-5-15(6-4-14)20-8-7-16(11-20)21-9-12-1-2-13(10-21)17(12)19/h3-6,12-13,16-17H,1-2,7-11,19H2/t12-,13+,16-,17?/m0/s1.
What are the key properties of (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine?
(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 289.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 126449938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).