1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine

C17H17BrClN — CID 156560218

IUPAC1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine
SMILESClc1c(Br)cccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H17BrClN/c18-16-5-3-4-15(17(16)19)14-8-6-13(7-9-14)12-20-10-1-2-11-20/h3-9H,1-2,10-12H2
InChIKeyMZATWIASFQXIEM-UHFFFAOYSA-N
MW350.69 g/mol
LogP5.37
Rot. Bonds3

About 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine

1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine (PubChem CID 156560218) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine
PubChem CID156560218
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC Name1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine
SMILESClc1c(Br)cccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H17BrClN/c18-16-5-3-4-15(17(16)19)14-8-6-13(7-9-14)12-20-10-1-2-11-20/h3-9H,1-2,10-12H2
InChIKeyMZATWIASFQXIEM-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.69
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
N-[(3-bromo-5-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79705622
N-[(3-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130157
N-[(3-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130382
1-(3-Bromo-2-chlorobenzyl)-3,3-difluoropyrrolidine
CID 162786549
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)-3,3-difluoropyrrolidine
CID 171934637
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)-3,3-difluoropiperidine
CID 171934640
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)-4,4-difluoropiperidine
CID 171934641
4-(3-bromophenyl)-3-(2-chlorophenyl)-N,N-dimethylbutan-1-amine
CID 20067856
(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine
CID 58111855
1-[1-[4-(4-Bromo-3-chlorophenyl)phenyl]ethyl]pyrrolidine
CID 60046879
1-Benzyl-3-(4-bromo-2-chlorophenyl)pyrrolidine
CID 67512772

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine (CID 156560218) is 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine is Clc1c(Br)cccc1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine?
The InChIKey is MZATWIASFQXIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c18-16-5-3-4-15(17(16)19)14-8-6-13(7-9-14)12-20-10-1-2-11-20/h3-9H,1-2,10-12H2.
What are the key properties of 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine?
1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine has a molecular weight of 350.69 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 156560218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).