3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine

C11H16FN3 — CID 105463150

IUPAC3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
SMILESNCC1(Nc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H16FN3/c12-9-2-1-3-10(6-9)15-11(7-13)4-5-14-8-11/h1-3,6,14-15H,4-5,7-8,13H2
InChIKeyQOTBZYUGUPJUQE-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.93
Rot. Bonds3

About 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine

3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine (PubChem CID 105463150) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
PubChem CID105463150
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
SMILESNCC1(Nc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H16FN3/c12-9-2-1-3-10(6-9)15-11(7-13)4-5-14-8-11/h1-3,6,14-15H,4-5,7-8,13H2
InChIKeyQOTBZYUGUPJUQE-UHFFFAOYSA-N
XLogP0.93
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine (CID 105463150) is 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine is NCC1(Nc2cccc(F)c2)CCNC1.
What is the InChIKey of 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is QOTBZYUGUPJUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-9-2-1-3-10(6-9)15-11(7-13)4-5-14-8-11/h1-3,6,14-15H,4-5,7-8,13H2.
What are the key properties of 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine?
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 209.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 105463150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).