1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine

C10H12BrFN2 — CID 65435771

IUPAC1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2
InChIKeyRVBSHLLSVHYMMV-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.13
Rot. Bonds1

About 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine

1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine (PubChem CID 65435771) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
PubChem CID65435771
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2
InChIKeyRVBSHLLSVHYMMV-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-bromo-4-iodophenyl)pyrrolidin-3-amine;hydrochloride
CID 170357511
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 130677279
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854552
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
CID 107575286
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
CID 107613029

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine (CID 65435771) is 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine is NC1CCN(c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is RVBSHLLSVHYMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine?
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 259.12 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 65435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).