2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane

C16H23BrN2 — CID 120906603

IUPAC2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(Br)ccc1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C16H23BrN2/c1-13-10-15(17)3-2-14(13)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyQESZWTSLXKPGTR-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.33
Rot. Bonds2

About 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906603) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906603
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(Br)ccc1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C16H23BrN2/c1-13-10-15(17)3-2-14(13)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyQESZWTSLXKPGTR-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane with MolForge

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

Launch Full Analysis

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
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 83667778
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906747
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906603) is 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane is Cc1cc(Br)ccc1CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is QESZWTSLXKPGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-13-10-15(17)3-2-14(13)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3.
What are the key properties of 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 323.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).