1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane

C18H27NO — CID 82626038

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C2NCCC23CCCCC3)c(C)c1
InChIInChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3
InChIKeyWVEHNIQTBVQBCQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.30
Rot. Bonds2

About 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane

1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane (PubChem CID 82626038) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
PubChem CID82626038
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C2NCCC23CCCCC3)c(C)c1
InChIInChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3
InChIKeyWVEHNIQTBVQBCQ-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
CID 82624045
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
7-methoxy-9-methylspiro[3,4-dihydro-2H-1-benzothiepine-5,3'-pyrrolidine]
CID 82624585
(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130682288
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane (CID 82626038) is 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane is COc1cc(C)c(C2NCCC23CCCCC3)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The InChIKey is WVEHNIQTBVQBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane has a molecular weight of 273.42 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 82626038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).