1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H24FN3 — CID 81469276

IUPAC1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCNc2ccccc2F)CC1N(C)C
InChIInChI=1S/C15H24FN3/c1-12-10-19(11-15(12)18(2)3)9-8-17-14-7-5-4-6-13(14)16/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyCKZUHJMRPCLCAW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81469276) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81469276
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCNc2ccccc2F)CC1N(C)C
InChIInChI=1S/C15H24FN3/c1-12-10-19(11-15(12)18(2)3)9-8-17-14-7-5-4-6-13(14)16/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyCKZUHJMRPCLCAW-UHFFFAOYSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81469276) is 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(CCNc2ccccc2F)CC1N(C)C.
What is the InChIKey of 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is CKZUHJMRPCLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12-10-19(11-15(12)18(2)3)9-8-17-14-7-5-4-6-13(14)16/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 265.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81469276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).