1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine

C17H17BrFN — CID 20895911

IUPAC1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCCN2Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrFN/c18-15-7-3-13(4-8-15)12-20-11-1-2-17(20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12H2
InChIKeyUDFXQJRHNVFCKP-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.93
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine

1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine (PubChem CID 20895911) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine
PubChem CID20895911
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCCN2Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrFN/c18-15-7-3-13(4-8-15)12-20-11-1-2-17(20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12H2
InChIKeyUDFXQJRHNVFCKP-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
2-(4-Bromophenyl)pyrrolidine
CID 4281494
1-(4-Bromobenzyl)piperidine
CID 16495045
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 43221362
(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-4-cyclohexyl-N,N-dimethylpyrrolidin-3-amine
CID 137644092
rel-(3R,4S)-1-(2-Bromo-6-fluorobenzyl)-N,N-dimethyl-4-phenylpyrrolidin-3-amine
CID 137646599
(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 137661547
trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine (CID 20895911) is 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine is Fc1ccc(C2CCCN2Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is UDFXQJRHNVFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-15-7-3-13(4-8-15)12-20-11-1-2-17(20)14-5-9-16(19)10-6-14/h3-10,17H,1-2,11-12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine?
1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 334.23 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 20895911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).