2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane

C16H23NO — CID 106824876

IUPAC2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2ccc(C)cc2)C1
InChIInChI=1S/C16H23NO/c1-12-3-5-13(6-4-12)15-11-17-8-7-16(15)9-14(10-16)18-2/h3-6,14-15,17H,7-11H2,1-2H3
InChIKeyYDMORWIJBLQRBW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.87
Rot. Bonds2

About 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane

2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane (PubChem CID 106824876) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
PubChem CID106824876
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2ccc(C)cc2)C1
InChIInChI=1S/C16H23NO/c1-12-3-5-13(6-4-12)15-11-17-8-7-16(15)9-14(10-16)18-2/h3-6,14-15,17H,7-11H2,1-2H3
InChIKeyYDMORWIJBLQRBW-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane (CID 106824876) is 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane is COC1CC2(CCNCC2c2ccc(C)cc2)C1.
What is the InChIKey of 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane?
The InChIKey is YDMORWIJBLQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-3-5-13(6-4-12)15-11-17-8-7-16(15)9-14(10-16)18-2/h3-6,14-15,17H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane?
2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane has a molecular weight of 245.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 106824876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).