4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C16H22BrClN2 — CID 103481704

IUPAC4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1c1cccc(Cl)c1Br
InChIInChI=1S/C16H22BrClN2/c1-12-10-19-16(8-3-2-4-9-16)11-20(12)14-7-5-6-13(18)15(14)17/h5-7,12,19H,2-4,8-11H2,1H3
InChIKeyLAXIJCZTLFMRAU-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.60
Rot. Bonds1

About 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 103481704) has the molecular formula C16H22BrClN2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID103481704
Molecular FormulaC16H22BrClN2
Molecular Weight357.72 g/mol
Exact Mass356.07
IUPAC Name4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1c1cccc(Cl)c1Br
InChIInChI=1S/C16H22BrClN2/c1-12-10-19-16(8-3-2-4-9-16)11-20(12)14-7-5-6-13(18)15(14)17/h5-7,12,19H,2-4,8-11H2,1H3
InChIKeyLAXIJCZTLFMRAU-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 104728489
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 103481704) is 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CC1CNC2(CCCCC2)CN1c1cccc(Cl)c1Br.
What is the InChIKey of 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is LAXIJCZTLFMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2/c1-12-10-19-16(8-3-2-4-9-16)11-20(12)14-7-5-6-13(18)15(14)17/h5-7,12,19H,2-4,8-11H2,1H3.
What are the key properties of 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 357.72 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 103481704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).