2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine

C15H20BrN — CID 117474628

IUPAC2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
SMILESBrc1cc(CC2CCCN2)cc2c1CCCC2
InChIInChI=1S/C15H20BrN/c16-15-10-11(9-13-5-3-7-17-13)8-12-4-1-2-6-14(12)15/h8,10,13,17H,1-7,9H2
InChIKeyLSLHBQILEKPZEY-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.62
Rot. Bonds2

About 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine

2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine (PubChem CID 117474628) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
PubChem CID117474628
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
SMILESBrc1cc(CC2CCCN2)cc2c1CCCC2
InChIInChI=1S/C15H20BrN/c16-15-10-11(9-13-5-3-7-17-13)8-12-4-1-2-6-14(12)15/h8,10,13,17H,1-7,9H2
InChIKeyLSLHBQILEKPZEY-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)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-bromo-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117432721
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]pyrrolidine
CID 82244186
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 117382930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine (CID 117474628) is 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine is Brc1cc(CC2CCCN2)cc2c1CCCC2.
What is the InChIKey of 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
The InChIKey is LSLHBQILEKPZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15-10-11(9-13-5-3-7-17-13)8-12-4-1-2-6-14(12)15/h8,10,13,17H,1-7,9H2.
What are the key properties of 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine?
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine has a molecular weight of 294.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 117474628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).