[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine

C12H17FN2 — CID 24709489

IUPAC[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(F)cc1N1CCC(CN)C1
InChIInChI=1S/C12H17FN2/c1-9-2-3-11(13)6-12(9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeySTDREUYWFULZNV-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.92
Rot. Bonds2

About [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine

[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 24709489) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID24709489
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(F)cc1N1CCC(CN)C1
InChIInChI=1S/C12H17FN2/c1-9-2-3-11(13)6-12(9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeySTDREUYWFULZNV-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine (CID 24709489) is [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine is Cc1ccc(F)cc1N1CCC(CN)C1.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is STDREUYWFULZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-2-3-11(13)6-12(9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24709489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).