2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole

C24H27FN2O — CID 91157654

IUPAC2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESCc1ccn(CCN2CCCC2)c1-c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C24H27FN2O/c1-19-11-14-27(16-15-26-12-5-6-13-26)24(19)22-10-9-21(25)17-23(22)28-18-20-7-3-2-4-8-20/h2-4,7-11,14,17H,5-6,12-13,15-16,18H2,1H3
InChIKeyFFKDOQXMNSUPMW-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.28
Rot. Bonds7

About 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole

2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole (PubChem CID 91157654) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole.

Molecular Properties

Compound Name2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole
PubChem CID91157654
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESCc1ccn(CCN2CCCC2)c1-c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C24H27FN2O/c1-19-11-14-27(16-15-26-12-5-6-13-26)24(19)22-10-9-21(25)17-23(22)28-18-20-7-3-2-4-8-20/h2-4,7-11,14,17H,5-6,12-13,15-16,18H2,1H3
InChIKeyFFKDOQXMNSUPMW-UHFFFAOYSA-N
XLogP5.28
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The IUPAC name of 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole (CID 91157654) is 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole.
What is the SMILES notation for 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The canonical SMILES for 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole is Cc1ccn(CCN2CCCC2)c1-c1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole?
The InChIKey is FFKDOQXMNSUPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-19-11-14-27(16-15-26-12-5-6-13-26)24(19)22-10-9-21(25)17-23(22)28-18-20-7-3-2-4-8-20/h2-4,7-11,14,17H,5-6,12-13,15-16,18H2,1H3.
What are the key properties of 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole?
2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole has a molecular weight of 378.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-phenylmethoxyphenyl)-3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrrole is sourced from PubChem (CID 91157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).