2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane

C14H17BrClN — CID 104724350

IUPAC2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
SMILESCc1cc(Br)c(N2CC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C14H17BrClN/c1-10-6-11(15)13(7-12(10)16)17-8-14(9-17)4-2-3-5-14/h6-7H,2-5,8-9H2,1H3
InChIKeyQPHDJGVFIQYKGQ-UHFFFAOYSA-N
MW314.65 g/mol
LogP4.79
Rot. Bonds1

About 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane

2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane (PubChem CID 104724350) has the molecular formula C14H17BrClN and a molecular weight of 314.65 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
PubChem CID104724350
Molecular FormulaC14H17BrClN
Molecular Weight314.65 g/mol
Exact Mass313.02
IUPAC Name2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
SMILESCc1cc(Br)c(N2CC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C14H17BrClN/c1-10-6-11(15)13(7-12(10)16)17-8-14(9-17)4-2-3-5-14/h6-7H,2-5,8-9H2,1H3
InChIKeyQPHDJGVFIQYKGQ-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 104724409
4-(2-azaspiro[3.6]decan-2-yl)-3-bromoaniline
CID 79688898
5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
CID 104757870
3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
CID 107841891
3-(2-azaspiro[3.4]octan-2-yl)-4-chloroaniline
CID 79688418
5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
CID 130562717
1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
CID 102943093
2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
3-(2-azaspiro[3.6]decan-2-yl)-4-methylbenzoic acid
CID 79686719

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane (CID 104724350) is 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane is Cc1cc(Br)c(N2CC3(CCCC3)C2)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane?
The InChIKey is QPHDJGVFIQYKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN/c1-10-6-11(15)13(7-12(10)16)17-8-14(9-17)4-2-3-5-14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane?
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane has a molecular weight of 314.65 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane is sourced from PubChem (CID 104724350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).