3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine

C11H13BrClN — CID 84713943

IUPAC3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cc(CC2CCNC2)ccc1Br
InChIInChI=1S/C11H13BrClN/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2
InChIKeySGEGUFRDVZDTSJ-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.25
Rot. Bonds2

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

3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine (PubChem CID 84713943) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
PubChem CID84713943
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cc(CC2CCNC2)ccc1Br
InChIInChI=1S/C11H13BrClN/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2
InChIKeySGEGUFRDVZDTSJ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine 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

3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
CID 84799410
3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine (CID 84713943) is 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine is Clc1cc(CC2CCNC2)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine?
The InChIKey is SGEGUFRDVZDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2.
What are the key properties of 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine?
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine has a molecular weight of 274.59 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 84713943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).