(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine

C17H19FN2 — CID 58312677

IUPAC(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)16-11-20(12-17(16)19)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19H2/t16-,17+/m0/s1
InChIKeyXWQQHNDVAHVAEZ-DLBZAZTESA-N
MW270.35 g/mol
LogP2.75
Rot. Bonds3

About (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine

(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 58312677) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine
PubChem CID58312677
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)16-11-20(12-17(16)19)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19H2/t16-,17+/m0/s1
InChIKeyXWQQHNDVAHVAEZ-DLBZAZTESA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
(1-Benzylpyrrolidin-3-yl)methanamine
CID 3157467
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
2-(3-Fluorophenyl)pyrrolidine
CID 3912402
(2S)-2-(Diphenylmethyl)pyrrolidine
CID 2734053
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine (CID 58312677) is (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine is N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is XWQQHNDVAHVAEZ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)16-11-20(12-17(16)19)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19H2/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 270.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 58312677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).