1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine

C24H25NO — CID 10569402

IUPAC1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H25NO/c1-26-23-16-14-22(15-17-23)24(25-18-8-9-19-25,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-17H,8-9,18-19H2,1H3
InChIKeyLJKWKANEVHYMOT-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.08
Rot. Bonds5

About 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine

1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine (PubChem CID 10569402) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine
PubChem CID10569402
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H25NO/c1-26-23-16-14-22(15-17-23)24(25-18-8-9-19-25,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-17H,8-9,18-19H2,1H3
InChIKeyLJKWKANEVHYMOT-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine?
The IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine (CID 10569402) is 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine?
The canonical SMILES for 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine is COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine?
The InChIKey is LJKWKANEVHYMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-26-23-16-14-22(15-17-23)24(25-18-8-9-19-25,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-17H,8-9,18-19H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine?
1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine has a molecular weight of 343.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-diphenylmethyl]pyrrolidine is sourced from PubChem (CID 10569402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).