1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine

C15H22BrFN2 — CID 119034422

IUPAC1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C15H22BrFN2/c1-10(19-6-5-13(9-19)11(2)18)7-12-3-4-14(16)8-15(12)17/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3
InChIKeyLLULCWNESNCMDO-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine (PubChem CID 119034422) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
PubChem CID119034422
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C15H22BrFN2/c1-10(19-6-5-13(9-19)11(2)18)7-12-3-4-14(16)8-15(12)17/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3
InChIKeyLLULCWNESNCMDO-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(4-bromo-2-fluorophenyl)butan-2-yl]-3-methylpyrrolidine
CID 155006504
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 103975668
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
CID 61000121
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
4-[(4-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66233280

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine (CID 119034422) is 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C(C)Cc2ccc(Br)cc2F)C1.
What is the InChIKey of 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The InChIKey is LLULCWNESNCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10(19-6-5-13(9-19)11(2)18)7-12-3-4-14(16)8-15(12)17/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3.
What are the key properties of 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 119034422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).