1-(2-benzhydryloxyethyl)pyrrolidine

C19H23NO — CID 3051680

IUPAC1-(2-benzhydryloxyethyl)pyrrolidine
SMILESc1ccc(C(OCCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20/h1-6,9-12,19H,7-8,13-16H2
InChIKeyTVHMTKGECLFVJE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.89
Rot. Bonds6

About 1-(2-benzhydryloxyethyl)pyrrolidine

1-(2-benzhydryloxyethyl)pyrrolidine (PubChem CID 3051680) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)pyrrolidine
PubChem CID3051680
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(2-benzhydryloxyethyl)pyrrolidine
SMILESc1ccc(C(OCCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20/h1-6,9-12,19H,7-8,13-16H2
InChIKeyTVHMTKGECLFVJE-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)pyrrolidine?
The IUPAC name of 1-(2-benzhydryloxyethyl)pyrrolidine (CID 3051680) is 1-(2-benzhydryloxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)pyrrolidine is c1ccc(C(OCCN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)pyrrolidine?
The InChIKey is TVHMTKGECLFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20/h1-6,9-12,19H,7-8,13-16H2.
What are the key properties of 1-(2-benzhydryloxyethyl)pyrrolidine?
1-(2-benzhydryloxyethyl)pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)pyrrolidine is sourced from PubChem (CID 3051680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).