2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane

C15H21BrN2 — CID 120908668

IUPAC2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCC3(CCNC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrN2/c1-12-2-3-13(14(16)8-12)9-18-7-5-15(11-18)4-6-17-10-15/h2-3,8,17H,4-7,9-11H2,1H3
InChIKeyVRLVFEOIVSYSRU-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.94
Rot. Bonds2

About 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908668) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908668
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1ccc(CN2CCC3(CCNC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrN2/c1-12-2-3-13(14(16)8-12)9-18-7-5-15(11-18)4-6-17-10-15/h2-3,8,17H,4-7,9-11H2,1H3
InChIKeyVRLVFEOIVSYSRU-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
CID 120907996
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 83667778
2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906603
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908077
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
2-[(3-bromo-2,6-difluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908051
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120908668) is 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane is Cc1ccc(CN2CCC3(CCNC3)C2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is VRLVFEOIVSYSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-12-2-3-13(14(16)8-12)9-18-7-5-15(11-18)4-6-17-10-15/h2-3,8,17H,4-7,9-11H2,1H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 309.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).