2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine

C15H20BrNO — CID 117495196

IUPAC2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-18-15-11(9-12-5-3-7-17-12)8-10-4-2-6-13(10)14(15)16/h8,12,17H,2-7,9H2,1H3
InChIKeyKLVMQDJQWGEHGI-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.24
Rot. Bonds3

About 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine

2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine (PubChem CID 117495196) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
PubChem CID117495196
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-18-15-11(9-12-5-3-7-17-12)8-10-4-2-6-13(10)14(15)16/h8,12,17H,2-7,9H2,1H3
InChIKeyKLVMQDJQWGEHGI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 117382930
1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 117454974
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine (CID 117495196) is 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine is COc1c(CC2CCCN2)cc2c(c1Br)CCC2.
What is the InChIKey of 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine?
The InChIKey is KLVMQDJQWGEHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-15-11(9-12-5-3-7-17-12)8-10-4-2-6-13(10)14(15)16/h8,12,17H,2-7,9H2,1H3.
What are the key properties of 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine?
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine has a molecular weight of 310.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine is sourced from PubChem (CID 117495196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).