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

C15H24FN3 — CID 81464769

IUPAC1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)c1cc(F)ccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H24FN3/c1-10-8-19(9-15(10)18(3)4)14-6-5-12(16)7-13(14)11(2)17/h5-7,10-11,15H,8-9,17H2,1-4H3
InChIKeyLZKKRJUSMHFJQS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.23
Rot. Bonds3

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

1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464769) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464769
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)c1cc(F)ccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H24FN3/c1-10-8-19(9-15(10)18(3)4)14-6-5-12(16)7-13(14)11(2)17/h5-7,10-11,15H,8-9,17H2,1-4H3
InChIKeyLZKKRJUSMHFJQS-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)-4-bromophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 82968401
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(E)-3-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluorophenyl]prop-2-enoic acid
CID 81465063
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
1-[2-(3,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 79188631
1-(2-amino-4,5-difluorophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 112751838
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464769) is 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is CC(N)c1cc(F)ccc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is LZKKRJUSMHFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-10-8-19(9-15(10)18(3)4)14-6-5-12(16)7-13(14)11(2)17/h5-7,10-11,15H,8-9,17H2,1-4H3.
What are the key properties of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 265.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).