(2S)-2-benzhydrylpyrrolidine

C17H19N — CID 2734053

IUPAC(2S)-2-benzhydrylpyrrolidine
SMILESc1ccc(C(c2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
InChIKeyOXOBKZZXZVFOBB-INIZCTEOSA-N
MW237.35 g/mol
LogP3.57
Rot. Bonds3

About (2S)-2-benzhydrylpyrrolidine

(2S)-2-benzhydrylpyrrolidine (PubChem CID 2734053) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-2-benzhydrylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-benzhydrylpyrrolidine
PubChem CID2734053
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-benzhydrylpyrrolidine
SMILESc1ccc(C(c2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
InChIKeyOXOBKZZXZVFOBB-INIZCTEOSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzhydrylpyrrolidine?
The IUPAC name of (2S)-2-benzhydrylpyrrolidine (CID 2734053) is (2S)-2-benzhydrylpyrrolidine.
What is the SMILES notation for (2S)-2-benzhydrylpyrrolidine?
The canonical SMILES for (2S)-2-benzhydrylpyrrolidine is c1ccc(C(c2ccccc2)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-benzhydrylpyrrolidine?
The InChIKey is OXOBKZZXZVFOBB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1.
What are the key properties of (2S)-2-benzhydrylpyrrolidine?
(2S)-2-benzhydrylpyrrolidine has a molecular weight of 237.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzhydrylpyrrolidine is sourced from PubChem (CID 2734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).