3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine

C17H25NO2 — CID 66359025

IUPAC3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OCc2ccc(OC)cc2)C12CCCC2
InChIInChI=1S/C17H25NO2/c1-18-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(19-2)8-6-13/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeyBZSZXHUAMVMWRV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds5

About 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine

3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine (PubChem CID 66359025) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
PubChem CID66359025
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OCc2ccc(OC)cc2)C12CCCC2
InChIInChI=1S/C17H25NO2/c1-18-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(19-2)8-6-13/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeyBZSZXHUAMVMWRV-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine (CID 66359025) is 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine is CNC1CC(OCc2ccc(OC)cc2)C12CCCC2.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The InChIKey is BZSZXHUAMVMWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(19-2)8-6-13/h5-8,15-16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66359025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).