1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

C13H19FN2 — CID 62513124

IUPAC1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cccc(F)c2C)C1
InChIInChI=1S/C13H19FN2/c1-10-12(14)4-3-5-13(10)16-7-6-11(9-16)8-15-2/h3-5,11,15H,6-9H2,1-2H3
InChIKeyJILOSCCBDXYDGY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds3

About 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62513124) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62513124
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cccc(F)c2C)C1
InChIInChI=1S/C13H19FN2/c1-10-12(14)4-3-5-13(10)16-7-6-11(9-16)8-15-2/h3-5,11,15H,6-9H2,1-2H3
InChIKeyJILOSCCBDXYDGY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
2-(3-fluoro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929349

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 62513124) is 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2cccc(F)c2C)C1.
What is the InChIKey of 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is JILOSCCBDXYDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-12(14)4-3-5-13(10)16-7-6-11(9-16)8-15-2/h3-5,11,15H,6-9H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).