[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine

C20H23FN2 — CID 120759825

IUPAC[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23FN2/c21-17-8-6-15-7-9-20(18(15)10-17)23-12-16(11-22)19(13-23)14-4-2-1-3-5-14/h1-6,8,10,16,19-20H,7,9,11-13,22H2/t16-,19+,20?/m1/s1
InChIKeyZMRKLNRGAWXCPO-UGNHXKFCSA-N
MW310.42 g/mol
LogP3.49
Rot. Bonds3

About [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120759825) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120759825
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23FN2/c21-17-8-6-15-7-9-20(18(15)10-17)23-12-16(11-22)19(13-23)14-4-2-1-3-5-14/h1-6,8,10,16,19-20H,7,9,11-13,22H2/t16-,19+,20?/m1/s1
InChIKeyZMRKLNRGAWXCPO-UGNHXKFCSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine (CID 120759825) is [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(C2CCc3ccc(F)cc32)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is ZMRKLNRGAWXCPO-UGNHXKFCSA-N. The full InChI is InChI=1S/C20H23FN2/c21-17-8-6-15-7-9-20(18(15)10-17)23-12-16(11-22)19(13-23)14-4-2-1-3-5-14/h1-6,8,10,16,19-20H,7,9,11-13,22H2/t16-,19+,20?/m1/s1.
What are the key properties of [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120759825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).