1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine

C15H23BrFN3 — CID 107532368

IUPAC1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(CN)c(Br)c2F)C1
InChIInChI=1S/C15H23BrFN3/c1-3-19(4-2)12-7-8-20(10-12)13-6-5-11(9-18)14(16)15(13)17/h5-6,12H,3-4,7-10,18H2,1-2H3
InChIKeyPUVWESRQSXKFLZ-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine

1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 107532368) has the molecular formula C15H23BrFN3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID107532368
Molecular FormulaC15H23BrFN3
Molecular Weight344.27 g/mol
Exact Mass343.11
IUPAC Name1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(CN)c(Br)c2F)C1
InChIInChI=1S/C15H23BrFN3/c1-3-19(4-2)12-7-8-20(10-12)13-6-5-11(9-18)14(16)15(13)17/h5-6,12H,3-4,7-10,18H2,1-2H3
InChIKeyPUVWESRQSXKFLZ-UHFFFAOYSA-N
XLogP2.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
CID 107532524
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615
1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
CID 55219788
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
[2-bromo-4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 107532343
N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107532516
3-bromo-4-[3-(diethylamino)pyrrolidin-1-yl]benzenecarbothioamide
CID 82805295
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine (CID 107532368) is 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ccc(CN)c(Br)c2F)C1.
What is the InChIKey of 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is PUVWESRQSXKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3/c1-3-19(4-2)12-7-8-20(10-12)13-6-5-11(9-18)14(16)15(13)17/h5-6,12H,3-4,7-10,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine?
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 344.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 107532368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).