3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine

C18H20FNO — CID 46205371

IUPAC3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(F)c2C)cc1C1CCNC1
InChIInChI=1S/C18H20FNO/c1-12-15(4-3-5-17(12)19)13-6-7-18(21-2)16(10-13)14-8-9-20-11-14/h3-7,10,14,20H,8-9,11H2,1-2H3
InChIKeyKPEYJFXLUURSDS-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.89
Rot. Bonds3

About 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine

3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine (PubChem CID 46205371) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine
PubChem CID46205371
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(F)c2C)cc1C1CCNC1
InChIInChI=1S/C18H20FNO/c1-12-15(4-3-5-17(12)19)13-6-7-18(21-2)16(10-13)14-8-9-20-11-14/h3-7,10,14,20H,8-9,11H2,1-2H3
InChIKeyKPEYJFXLUURSDS-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine?
The IUPAC name of 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine (CID 46205371) is 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine?
The canonical SMILES for 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine is COc1ccc(-c2cccc(F)c2C)cc1C1CCNC1.
What is the InChIKey of 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine?
The InChIKey is KPEYJFXLUURSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-15(4-3-5-17(12)19)13-6-7-18(21-2)16(10-13)14-8-9-20-11-14/h3-7,10,14,20H,8-9,11H2,1-2H3.
What are the key properties of 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine?
3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine has a molecular weight of 285.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoro-2-methylphenyl)-2-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 46205371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).