3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride

C12H17ClFN — CID 115037533

IUPAC3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2(C)NCCC2F)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(8-9)12(2)11(13)6-7-14-12;/h3-5,8,11,14H,6-7H2,1-2H3;1H
InChIKeyJDGPZBPOXPQREU-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.96
Rot. Bonds1

About 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride

3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 115037533) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID115037533
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2(C)NCCC2F)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(8-9)12(2)11(13)6-7-14-12;/h3-5,8,11,14H,6-7H2,1-2H3;1H
InChIKeyJDGPZBPOXPQREU-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
CID 115038604
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
CID 115028533
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037542
4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
CID 115045704
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
CID 121230111
2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
CID 83819660
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227009
4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride (CID 115037533) is 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride is Cc1cccc(C2(C)NCCC2F)c1.Cl.
What is the InChIKey of 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is JDGPZBPOXPQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(8-9)12(2)11(13)6-7-14-12;/h3-5,8,11,14H,6-7H2,1-2H3;1H.
What are the key properties of 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115037533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).