(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine

C19H21FN2 — CID 120761969

IUPAC(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21FN2/c20-15-8-6-14-7-9-19(16(14)10-15)22-11-17(18(21)12-22)13-4-2-1-3-5-13/h1-6,8,10,17-19H,7,9,11-12,21H2/t17-,18+,19?/m0/s1
InChIKeyOFPQOWWTVYKGEG-PAMZHZACSA-N
MW296.39 g/mol
LogP3.24
Rot. Bonds2

About (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine

(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine (PubChem CID 120761969) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine
PubChem CID120761969
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21FN2/c20-15-8-6-14-7-9-19(16(14)10-15)22-11-17(18(21)12-22)13-4-2-1-3-5-13/h1-6,8,10,17-19H,7,9,11-12,21H2/t17-,18+,19?/m0/s1
InChIKeyOFPQOWWTVYKGEG-PAMZHZACSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine (CID 120761969) is (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine?
The InChIKey is OFPQOWWTVYKGEG-PAMZHZACSA-N. The full InChI is InChI=1S/C19H21FN2/c20-15-8-6-14-7-9-19(16(14)10-15)22-11-17(18(21)12-22)13-4-2-1-3-5-13/h1-6,8,10,17-19H,7,9,11-12,21H2/t17-,18+,19?/m0/s1.
What are the key properties of (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine has a molecular weight of 296.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120761969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).