3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride

C11H15ClFNO — CID 169498266

IUPAC3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1cccc(F)c1C1CCNC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-4-2-3-9(12)11(10)8-5-6-13-7-8;/h2-4,8,13H,5-7H2,1H3;1H
InChIKeyPGZGLLBFCJOKCQ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.33
Rot. Bonds2

About 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride

3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 169498266) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
PubChem CID169498266
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1cccc(F)c1C1CCNC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-4-2-3-9(12)11(10)8-5-6-13-7-8;/h2-4,8,13H,5-7H2,1H3;1H
InChIKeyPGZGLLBFCJOKCQ-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methoxyphenamine
CID 4117
Methoxyphenamine Hydrochloride
CID 9859211
2-Methoxyphenethylamine
CID 74896
4-(2-(4-Fluorophenoxy)phenyl)piperidine
CID 22599992
4-(2-(Benzyloxy)-6-fluorophenyl)piperidine
CID 45483406
m-Methoxy-N-methylphenethylamine
CID 118500
4-(2-Methoxyphenyl)piperidine hydrochloride
CID 17174875
2-(2-Methoxyphenyl)-1-(pyrrolidin-1-yl)ethane
CID 23061353
(2S)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456094
(2R)-1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456095
4-(2-(3-Fluorophenoxy)phenyl)piperidine
CID 45375937
4-(2-(2-Fluorobenzyloxy)phenyl)piperidine
CID 45483400

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride (CID 169498266) is 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride is COc1cccc(F)c1C1CCNC1.Cl.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is PGZGLLBFCJOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-10-4-2-3-9(12)11(10)8-5-6-13-7-8;/h2-4,8,13H,5-7H2,1H3;1H.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride?
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).