2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine

C16H23NO2 — CID 65006110

IUPAC2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
SMILESCOc1cc(C2(N)CC3(CCOCC3)C2)ccc1C
InChIInChI=1S/C16H23NO2/c1-12-3-4-13(9-14(12)18-2)16(17)10-15(11-16)5-7-19-8-6-15/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyUQWQZMVCVHIFRU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine

2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine (PubChem CID 65006110) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
PubChem CID65006110
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
SMILESCOc1cc(C2(N)CC3(CCOCC3)C2)ccc1C
InChIInChI=1S/C16H23NO2/c1-12-3-4-13(9-14(12)18-2)16(17)10-15(11-16)5-7-19-8-6-15/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyUQWQZMVCVHIFRU-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine (CID 65006110) is 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine is COc1cc(C2(N)CC3(CCOCC3)C2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine?
The InChIKey is UQWQZMVCVHIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-3-4-13(9-14(12)18-2)16(17)10-15(11-16)5-7-19-8-6-15/h3-4,9H,5-8,10-11,17H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine?
2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 65006110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).