2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine

C13H19FN2 — CID 82617253

IUPAC2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine
SMILESCc1cc(C2CCNC2CCN)ccc1F
InChIInChI=1S/C13H19FN2/c1-9-8-10(2-3-12(9)14)11-5-7-16-13(11)4-6-15/h2-3,8,11,13,16H,4-7,15H2,1H3
InChIKeyCVLCSYFDDILCEM-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.93
Rot. Bonds3

About 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine

2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine (PubChem CID 82617253) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine
PubChem CID82617253
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine
SMILESCc1cc(C2CCNC2CCN)ccc1F
InChIInChI=1S/C13H19FN2/c1-9-8-10(2-3-12(9)14)11-5-7-16-13(11)4-6-15/h2-3,8,11,13,16H,4-7,15H2,1H3
InChIKeyCVLCSYFDDILCEM-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine (CID 82617253) is 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine is Cc1cc(C2CCNC2CCN)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The InChIKey is CVLCSYFDDILCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-8-10(2-3-12(9)14)11-5-7-16-13(11)4-6-15/h2-3,8,11,13,16H,4-7,15H2,1H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine?
2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 82617253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).