(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride

C23H25ClN2 — CID 71713046

IUPAC(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride
SMILESCl.c1ccc(CN2C[C@@H](Nc3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H24N2.ClH/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21;/h1-15,22-24H,16-18H2;1H/t22-,23+;/m0./s1
InChIKeyOOAFXCXFTPFPIS-PEADMDKFSA-N
MW364.92 g/mol
LogP5.19
Rot. Bonds5

About (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride (PubChem CID 71713046) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride
PubChem CID71713046
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride
SMILESCl.c1ccc(CN2C[C@@H](Nc3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H24N2.ClH/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21;/h1-15,22-24H,16-18H2;1H/t22-,23+;/m0./s1
InChIKeyOOAFXCXFTPFPIS-PEADMDKFSA-N
XLogP5.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride (CID 71713046) is (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride is Cl.c1ccc(CN2C[C@@H](Nc3ccccc3)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is OOAFXCXFTPFPIS-PEADMDKFSA-N. The full InChI is InChI=1S/C23H24N2.ClH/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21;/h1-15,22-24H,16-18H2;1H/t22-,23+;/m0./s1.
What are the key properties of (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-N,4-diphenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71713046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).