2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine

C13H18BrN — CID 84808304

IUPAC2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
SMILESCCc1ccc(Br)cc1CC1CCCN1
InChIInChI=1S/C13H18BrN/c1-2-10-5-6-12(14)8-11(10)9-13-4-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyFHQOXYYDAXQTCO-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.31
Rot. Bonds3

About 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine

2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine (PubChem CID 84808304) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
PubChem CID84808304
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
SMILESCCc1ccc(Br)cc1CC1CCCN1
InChIInChI=1S/C13H18BrN/c1-2-10-5-6-12(14)8-11(10)9-13-4-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyFHQOXYYDAXQTCO-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117480393
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CID 81292262
1-(4-bromo-2-ethylphenyl)-3-propyl-1,4-diazepane
CID 81289696
1-(2-amino-5-bromophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 175308522
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
CID 117495200
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CID 117301581

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine (CID 84808304) is 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine is CCc1ccc(Br)cc1CC1CCCN1.
What is the InChIKey of 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine?
The InChIKey is FHQOXYYDAXQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-2-10-5-6-12(14)8-11(10)9-13-4-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine?
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84808304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).