(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride

C19H24ClN — CID 70526250

IUPAC(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(CC[C@@H]2CC[C@H](Cc3ccccc3)N2)cc1
InChIInChI=1S/C19H23N.ClH/c1-3-7-16(8-4-1)11-12-18-13-14-19(20-18)15-17-9-5-2-6-10-17;/h1-10,18-20H,11-15H2;1H/t18-,19-;/m1./s1
InChIKeyQOJVWFICDWYRHH-STYNFMPRSA-N
MW301.86 g/mol
LogP4.40
Rot. Bonds5

About (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride

(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride (PubChem CID 70526250) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
PubChem CID70526250
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(CC[C@@H]2CC[C@H](Cc3ccccc3)N2)cc1
InChIInChI=1S/C19H23N.ClH/c1-3-7-16(8-4-1)11-12-18-13-14-19(20-18)15-17-9-5-2-6-10-17;/h1-10,18-20H,11-15H2;1H/t18-,19-;/m1./s1
InChIKeyQOJVWFICDWYRHH-STYNFMPRSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5R)-2-benzyl-5-ethylpyrrolidine
CID 11267979
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5-methyl-2-(2-phenylethyl)piperidine
CID 81320090
6-benzylpiperidin-2-ol
CID 163764963
5-benzylpyrrolidine-2-thione
CID 89366574
2-(2-phenylethyl)piperazine;dihydrochloride
CID 67602755
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
2-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
CID 154790096
6-benzylpiperidine-2-carboxylic acid
CID 112574120
3-benzylpyrazolidine
CID 138058728
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride (CID 70526250) is (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride is Cl.c1ccc(CC[C@@H]2CC[C@H](Cc3ccccc3)N2)cc1.
What is the InChIKey of (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride?
The InChIKey is QOJVWFICDWYRHH-STYNFMPRSA-N. The full InChI is InChI=1S/C19H23N.ClH/c1-3-7-16(8-4-1)11-12-18-13-14-19(20-18)15-17-9-5-2-6-10-17;/h1-10,18-20H,11-15H2;1H/t18-,19-;/m1./s1.
What are the key properties of (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride?
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 70526250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).