N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine

C14H21FN2 — CID 82014462

IUPACN-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCCN(c1ccccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-4-17(11-9-14(2,3)16-10-11)13-8-6-5-7-12(13)15/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyZLAJYUXYFYPAIU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine

N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 82014462) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID82014462
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCCN(c1ccccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-4-17(11-9-14(2,3)16-10-11)13-8-6-5-7-12(13)15/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyZLAJYUXYFYPAIU-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine (CID 82014462) is N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine is CCN(c1ccccc1F)C1CNC(C)(C)C1.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is ZLAJYUXYFYPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-17(11-9-14(2,3)16-10-11)13-8-6-5-7-12(13)15/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 82014462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).