1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H26FN3 — CID 81469750

IUPAC1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)Cc1cc(F)ccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-14(17)8-13(15)7-12(2)18/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3
InChIKeyHNPOMZDFOYFXGB-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81469750) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81469750
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)Cc1cc(F)ccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-14(17)8-13(15)7-12(2)18/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3
InChIKeyHNPOMZDFOYFXGB-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81469750) is 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is CC(N)Cc1cc(F)ccc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is HNPOMZDFOYFXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-14(17)8-13(15)7-12(2)18/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3.
What are the key properties of 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81469750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).