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

C14H21FN2 — CID 114075932

IUPAC[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cc(F)ccc1C
InChIInChI=1S/C14H21FN2/c1-3-17-7-6-11(9-16)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11,14H,3,6-7,9,16H2,1-2H3
InChIKeyRMGIDQWOQMLXNF-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.48
Rot. Bonds3

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

[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 114075932) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID114075932
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cc(F)ccc1C
InChIInChI=1S/C14H21FN2/c1-3-17-7-6-11(9-16)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11,14H,3,6-7,9,16H2,1-2H3
InChIKeyRMGIDQWOQMLXNF-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine (CID 114075932) is [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine is CCN1CCC(CN)C1c1cc(F)ccc1C.
What is the InChIKey of [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is RMGIDQWOQMLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17-7-6-11(9-16)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11,14H,3,6-7,9,16H2,1-2H3.
What are the key properties of [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine?
[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114075932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).