3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine

C18H27NO2 — CID 66358567

IUPAC3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
SMILESCOc1cc(C)ccc1OC1CC(N)C12CCCCCC2
InChIInChI=1S/C18H27NO2/c1-13-7-8-14(15(11-13)20-2)21-17-12-16(19)18(17)9-5-3-4-6-10-18/h7-8,11,16-17H,3-6,9-10,12,19H2,1-2H3
InChIKeyLZQVAMTZILMQHE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.82
Rot. Bonds3

About 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine

3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine (PubChem CID 66358567) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
PubChem CID66358567
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
SMILESCOc1cc(C)ccc1OC1CC(N)C12CCCCCC2
InChIInChI=1S/C18H27NO2/c1-13-7-8-14(15(11-13)20-2)21-17-12-16(19)18(17)9-5-3-4-6-10-18/h7-8,11,16-17H,3-6,9-10,12,19H2,1-2H3
InChIKeyLZQVAMTZILMQHE-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 83135242
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
3-bromo-1-(2-chloro-5-methylphenoxy)spiro[3.5]nonane
CID 66345352
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
3-(2-iodophenoxy)spiro[3.4]octan-1-amine
CID 66358472
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine (CID 66358567) is 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine is COc1cc(C)ccc1OC1CC(N)C12CCCCCC2.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine?
The InChIKey is LZQVAMTZILMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-7-8-14(15(11-13)20-2)21-17-12-16(19)18(17)9-5-3-4-6-10-18/h7-8,11,16-17H,3-6,9-10,12,19H2,1-2H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine?
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).