1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine

C19H23NO — CID 3050613

IUPAC1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine
SMILESCCOc1ccc(-c2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C19H23NO/c1-2-21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-7-13-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyRWNOJEXTQKOFTD-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.35
Rot. Bonds5

About 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine

1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine (PubChem CID 3050613) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine
PubChem CID3050613
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine
SMILESCCOc1ccc(-c2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C19H23NO/c1-2-21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-7-13-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyRWNOJEXTQKOFTD-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine (CID 3050613) is 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine is CCOc1ccc(-c2ccccc2)cc1CN1CCCC1.
What is the InChIKey of 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine?
The InChIKey is RWNOJEXTQKOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-7-13-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3.
What are the key properties of 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine?
1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 3050613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).