1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine

C13H19FN2 — CID 118671533

IUPAC1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(C)cc2F)C1
InChIInChI=1S/C13H19FN2/c1-10-3-4-11(13(14)7-10)8-16-6-5-12(9-16)15-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyNZAVZBZCBJWYRI-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.93
Rot. Bonds3

About 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 118671533) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID118671533
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(C)cc2F)C1
InChIInChI=1S/C13H19FN2/c1-10-3-4-11(13(14)7-10)8-16-6-5-12(9-16)15-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyNZAVZBZCBJWYRI-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 166121018
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]benzonitrile
CID 114484948
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 118671533) is 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2ccc(C)cc2F)C1.
What is the InChIKey of 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is NZAVZBZCBJWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-3-4-11(13(14)7-10)8-16-6-5-12(9-16)15-2/h3-4,7,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 118671533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).