1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol

C17H24BrNO — CID 82970943

IUPAC1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24BrNO/c1-13(20)15-12-14(18)4-5-16(15)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3
InChIKeyPNVBNDSZONUODV-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.66
Rot. Bonds2

About 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol

1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol (PubChem CID 82970943) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
PubChem CID82970943
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24BrNO/c1-13(20)15-12-14(18)4-5-16(15)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3
InChIKeyPNVBNDSZONUODV-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol?
The IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol (CID 82970943) is 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol.
What is the SMILES notation for 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol?
The canonical SMILES for 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol is CC(O)c1cc(Br)ccc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol?
The InChIKey is PNVBNDSZONUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-13(20)15-12-14(18)4-5-16(15)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11H2,1H3.
What are the key properties of 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol?
1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol has a molecular weight of 338.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol is sourced from PubChem (CID 82970943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).