1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine

C20H23ClFNO — CID 90813390

IUPAC1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine
SMILESCCc1c(C)c(F)c(N2CCCC2)c(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H23ClFNO/c1-3-16-14(2)18(22)19(23-11-7-8-12-23)17(21)20(16)24-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3
InChIKeyNAWTYFCIFHGHMM-UHFFFAOYSA-N
MW347.86 g/mol
LogP5.53
Rot. Bonds5

About 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine

1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine (PubChem CID 90813390) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine
PubChem CID90813390
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine
SMILESCCc1c(C)c(F)c(N2CCCC2)c(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H23ClFNO/c1-3-16-14(2)18(22)19(23-11-7-8-12-23)17(21)20(16)24-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3
InChIKeyNAWTYFCIFHGHMM-UHFFFAOYSA-N
XLogP5.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.86
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine (CID 90813390) is 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine is CCc1c(C)c(F)c(N2CCCC2)c(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine?
The InChIKey is NAWTYFCIFHGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO/c1-3-16-14(2)18(22)19(23-11-7-8-12-23)17(21)20(16)24-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3.
What are the key properties of 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine?
1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine has a molecular weight of 347.86 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine is sourced from PubChem (CID 90813390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).