5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane

C19H28BrN — CID 79439161

IUPAC5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CCNCC2c2ccccc2Br)CC1
InChIInChI=1S/C19H28BrN/c1-2-15-6-5-10-19(11-9-15)12-13-21-14-17(19)16-7-3-4-8-18(16)20/h3-4,7-8,15,17,21H,2,5-6,9-14H2,1H3
InChIKeyYETGJPASNIJDGX-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.50
Rot. Bonds2

About 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane

5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane (PubChem CID 79439161) has the molecular formula C19H28BrN and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
PubChem CID79439161
Molecular FormulaC19H28BrN
Molecular Weight350.34 g/mol
Exact Mass349.14
IUPAC Name5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CCNCC2c2ccccc2Br)CC1
InChIInChI=1S/C19H28BrN/c1-2-15-6-5-10-19(11-9-15)12-13-21-14-17(19)16-7-3-4-8-18(16)20/h3-4,7-8,15,17,21H,2,5-6,9-14H2,1H3
InChIKeyYETGJPASNIJDGX-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
CID 79454886
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
CID 124670148
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79438736
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79432333
3-(2-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79455371
5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
CID 106874927

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The IUPAC name of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane (CID 79439161) is 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The canonical SMILES for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane is CCC1CCCC2(CCNCC2c2ccccc2Br)CC1.
What is the InChIKey of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The InChIKey is YETGJPASNIJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN/c1-2-15-6-5-10-19(11-9-15)12-13-21-14-17(19)16-7-3-4-8-18(16)20/h3-4,7-8,15,17,21H,2,5-6,9-14H2,1H3.
What are the key properties of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane has a molecular weight of 350.34 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79439161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).