1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine

C17H17BrFN — CID 63458175

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
SMILESFc1ccc(CN2CCC(c3ccccc3)C2)c(Br)c1
InChIInChI=1S/C17H17BrFN/c18-17-10-16(19)7-6-15(17)12-20-9-8-14(11-20)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2
InChIKeyRRAJFWSTFNKIPQ-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.58
Rot. Bonds3

About 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine

1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine (PubChem CID 63458175) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
PubChem CID63458175
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
SMILESFc1ccc(CN2CCC(c3ccccc3)C2)c(Br)c1
InChIInChI=1S/C17H17BrFN/c18-17-10-16(19)7-6-15(17)12-20-9-8-14(11-20)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2
InChIKeyRRAJFWSTFNKIPQ-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-bromo-4-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927360
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-[(2-bromo-4-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165132
1-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388702
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 103898107
(3S,4R)-1-[(2-bromo-4-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761348
3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86915583
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
3-[(2-bromo-4-fluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371349
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
3-bromo-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 154744699

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine (CID 63458175) is 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine is Fc1ccc(CN2CCC(c3ccccc3)C2)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine?
The InChIKey is RRAJFWSTFNKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-17-10-16(19)7-6-15(17)12-20-9-8-14(11-20)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine?
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine has a molecular weight of 334.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine is sourced from PubChem (CID 63458175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).