2-benzhydryl-1-methylpyrrolidine

C18H21N — CID 71178925

IUPAC2-benzhydryl-1-methylpyrrolidine
SMILESCN1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-19-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3
InChIKeyFRVKKZGBAFXZMY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.91
Rot. Bonds3

About 2-benzhydryl-1-methylpyrrolidine

2-benzhydryl-1-methylpyrrolidine (PubChem CID 71178925) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-benzhydryl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-benzhydryl-1-methylpyrrolidine
PubChem CID71178925
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-benzhydryl-1-methylpyrrolidine
SMILESCN1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-19-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3
InChIKeyFRVKKZGBAFXZMY-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-methylpyrrolidine?
The IUPAC name of 2-benzhydryl-1-methylpyrrolidine (CID 71178925) is 2-benzhydryl-1-methylpyrrolidine.
What is the SMILES notation for 2-benzhydryl-1-methylpyrrolidine?
The canonical SMILES for 2-benzhydryl-1-methylpyrrolidine is CN1CCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-1-methylpyrrolidine?
The InChIKey is FRVKKZGBAFXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-18H,8,13-14H2,1H3.
What are the key properties of 2-benzhydryl-1-methylpyrrolidine?
2-benzhydryl-1-methylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-methylpyrrolidine is sourced from PubChem (CID 71178925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).