(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride

C24H27ClN2 — CID 73350587

IUPAC(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H26N2.ClH/c1-4-10-20(11-5-1)16-25-24-19-26(17-21-12-6-2-7-13-21)18-23(24)22-14-8-3-9-15-22;/h1-15,23-25H,16-19H2;1H/t23-,24+;/m0./s1
InChIKeyCXKROPGWLZLXCH-KZDWWKKTSA-N
MW378.95 g/mol
LogP4.87
Rot. Bonds6

About (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 73350587) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID73350587
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H26N2.ClH/c1-4-10-20(11-5-1)16-25-24-19-26(17-21-12-6-2-7-13-21)18-23(24)22-14-8-3-9-15-22;/h1-15,23-25H,16-19H2;1H/t23-,24+;/m0./s1
InChIKeyCXKROPGWLZLXCH-KZDWWKKTSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
4-[[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122033996

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride (CID 73350587) is (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CXKROPGWLZLXCH-KZDWWKKTSA-N. The full InChI is InChI=1S/C24H26N2.ClH/c1-4-10-20(11-5-1)16-25-24-19-26(17-21-12-6-2-7-13-21)18-23(24)22-14-8-3-9-15-22;/h1-15,23-25H,16-19H2;1H/t23-,24+;/m0./s1.
What are the key properties of (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 73350587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).