2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine

C12H16FNO — CID 84677004

IUPAC2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(F)cc(C2CCCN2)c1C
InChIInChI=1S/C12H16FNO/c1-8-10(11-4-3-5-14-11)6-9(13)7-12(8)15-2/h6-7,11,14H,3-5H2,1-2H3
InChIKeyJNFVBGUQYVVWAR-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine

2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine (PubChem CID 84677004) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
PubChem CID84677004
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(F)cc(C2CCCN2)c1C
InChIInChI=1S/C12H16FNO/c1-8-10(11-4-3-5-14-11)6-9(13)7-12(8)15-2/h6-7,11,14H,3-5H2,1-2H3
InChIKeyJNFVBGUQYVVWAR-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 162046061
5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 142533269
5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine;hydrochloride
CID 154957348

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine?
The IUPAC name of 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine (CID 84677004) is 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine is COc1cc(F)cc(C2CCCN2)c1C.
What is the InChIKey of 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine?
The InChIKey is JNFVBGUQYVVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-10(11-4-3-5-14-11)6-9(13)7-12(8)15-2/h6-7,11,14H,3-5H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine?
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 84677004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).