2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine

C15H20BrNO — CID 117495064

IUPAC2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-15(7-4-8-17-15)12-9-10-5-3-6-11(10)13(16)14(12)18-2/h9,17H,3-8H2,1-2H3
InChIKeyYXCMAPLZHDZOJD-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.55
Rot. Bonds2

About 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine

2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine (PubChem CID 117495064) 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)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
PubChem CID117495064
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)cc2c(c1Br)CCC2
InChIInChI=1S/C15H20BrNO/c1-15(7-4-8-17-15)12-9-10-5-3-6-11(10)13(16)14(12)18-2/h9,17H,3-8H2,1-2H3
InChIKeyYXCMAPLZHDZOJD-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
7-bromo-6-methoxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 117383062
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine (CID 117495064) is 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine is COc1c(C2(C)CCCN2)cc2c(c1Br)CCC2.
What is the InChIKey of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine?
The InChIKey is YXCMAPLZHDZOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-15(7-4-8-17-15)12-9-10-5-3-6-11(10)13(16)14(12)18-2/h9,17H,3-8H2,1-2H3.
What are the key properties of 2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine?
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine has a molecular weight of 310.24 g/mol, XLogP of 3.55, 2 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)-2-methylpyrrolidine is sourced from PubChem (CID 117495064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).