(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine

C21H26FN3 — CID 120770314

IUPAC(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H26FN3/c22-19-9-6-10-21(25-11-4-5-12-25)18(19)14-24-13-17(20(23)15-24)16-7-2-1-3-8-16/h1-3,6-10,17,20H,4-5,11-15,23H2/t17-,20+/m0/s1
InChIKeyWKZAIHRBUBKOMB-FXAWDEMLSA-N
MW339.46 g/mol
LogP3.35
Rot. Bonds4

About (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770314) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770314
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H26FN3/c22-19-9-6-10-21(25-11-4-5-12-25)18(19)14-24-13-17(20(23)15-24)16-7-2-1-3-8-16/h1-3,6-10,17,20H,4-5,11-15,23H2/t17-,20+/m0/s1
InChIKeyWKZAIHRBUBKOMB-FXAWDEMLSA-N
XLogP3.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770206
(3S,4R)-1-[(2-chloro-6-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770160
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909794
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968312
(3S,4R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760438
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine (CID 120770314) is (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is WKZAIHRBUBKOMB-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H26FN3/c22-19-9-6-10-21(25-11-4-5-12-25)18(19)14-24-13-17(20(23)15-24)16-7-2-1-3-8-16/h1-3,6-10,17,20H,4-5,11-15,23H2/t17-,20+/m0/s1.
What are the key properties of (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 339.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).