2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine

C13H18FNO — CID 117320154

IUPAC2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1cccc(C2(C)CCCN2)c1F
InChIInChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-6-3-5-10(9-16-2)12(11)14/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyULRVLUQPGSWXEB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds3

About 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine

2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117320154) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
PubChem CID117320154
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1cccc(C2(C)CCCN2)c1F
InChIInChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-6-3-5-10(9-16-2)12(11)14/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyULRVLUQPGSWXEB-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-pyrrolidine
CID 10318976
2-[3-(Methoxymethyl)phenyl]propan-2-amine
CID 117278171
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
CID 86779501
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
CID 19960152
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine;hydrochloride
CID 19960226
5-(methoxymethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 22591429
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine
CID 23437071
2-(2-Fluoro-4-pent-3-ynylphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 23437081
4,4-diethyl-2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-oxazolidine
CID 23437083
2-(2-Fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 74053003
4,4-Diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine
CID 74053004
(2S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenylpyrrolidine
CID 88916442

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine (CID 117320154) is 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine is COCc1cccc(C2(C)CCCN2)c1F.
What is the InChIKey of 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is ULRVLUQPGSWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-6-3-5-10(9-16-2)12(11)14/h3,5-6,15H,4,7-9H2,1-2H3.
What are the key properties of 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117320154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).