3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine

C13H20FN3 — CID 81468300

IUPAC3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(Nc2ccc(F)cc2)CN1C
InChIInChI=1S/C13H20FN3/c1-10-7-13(8-15,9-17(10)2)16-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9,15H2,1-2H3
InChIKeyPRMWZAQSQGAXQL-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.66
Rot. Bonds3

About 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81468300) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81468300
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(CN)(Nc2ccc(F)cc2)CN1C
InChIInChI=1S/C13H20FN3/c1-10-7-13(8-15,9-17(10)2)16-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9,15H2,1-2H3
InChIKeyPRMWZAQSQGAXQL-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81468300) is 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(CN)(Nc2ccc(F)cc2)CN1C.
What is the InChIKey of 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is PRMWZAQSQGAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-10-7-13(8-15,9-17(10)2)16-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 237.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81468300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).