2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine

C18H20FN — CID 123990449

IUPAC2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
SMILESCc1cc(F)ccc1-c1cccc(C2CCC(C)N2)c1
InChIInChI=1S/C18H20FN/c1-12-10-16(19)7-8-17(12)14-4-3-5-15(11-14)18-9-6-13(2)20-18/h3-5,7-8,10-11,13,18,20H,6,9H2,1-2H3
InChIKeyDRPQXVQKPXIBOB-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.61
Rot. Bonds2

About 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine

2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine (PubChem CID 123990449) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
PubChem CID123990449
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
SMILESCc1cc(F)ccc1-c1cccc(C2CCC(C)N2)c1
InChIInChI=1S/C18H20FN/c1-12-10-16(19)7-8-17(12)14-4-3-5-15(11-14)18-9-6-13(2)20-18/h3-5,7-8,10-11,13,18,20H,6,9H2,1-2H3
InChIKeyDRPQXVQKPXIBOB-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
CID 146633764
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217456
(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 138494273
(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 134199954
5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 146633762
(2S,5S)-2-(4-bromophenyl)-5-(3-methylphenyl)pyrrolidine
CID 162419383
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine (CID 123990449) is 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine is Cc1cc(F)ccc1-c1cccc(C2CCC(C)N2)c1.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine?
The InChIKey is DRPQXVQKPXIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-10-16(19)7-8-17(12)14-4-3-5-15(11-14)18-9-6-13(2)20-18/h3-5,7-8,10-11,13,18,20H,6,9H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine?
2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine has a molecular weight of 269.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine is sourced from PubChem (CID 123990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).