7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane

C13H17NO — CID 105455554

IUPAC7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
SMILESCOc1ccccc1C1CCNC12CC2
InChIInChI=1S/C13H17NO/c1-15-12-5-3-2-4-10(12)11-6-9-14-13(11)7-8-13/h2-5,11,14H,6-9H2,1H3
InChIKeyXDBDABBDNHIWLP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.30
Rot. Bonds2

About 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane

7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane (PubChem CID 105455554) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
PubChem CID105455554
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
SMILESCOc1ccccc1C1CCNC12CC2
InChIInChI=1S/C13H17NO/c1-15-12-5-3-2-4-10(12)11-6-9-14-13(11)7-8-13/h2-5,11,14H,6-9H2,1H3
InChIKeyXDBDABBDNHIWLP-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyphenyl)piperidine
CID 544738
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
CID 129411572
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
(1R,4aS,8aR)-1-(2-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 51427393
(1R,4aS,8aS)-1-(2-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 908690
cis-(8S,9R)-8,9-bis(2-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10452748
4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride
CID 115054375
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane?
The IUPAC name of 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane (CID 105455554) is 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane.
What is the SMILES notation for 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane?
The canonical SMILES for 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane is COc1ccccc1C1CCNC12CC2.
What is the InChIKey of 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane?
The InChIKey is XDBDABBDNHIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-5-3-2-4-10(12)11-6-9-14-13(11)7-8-13/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane?
7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane has a molecular weight of 203.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane is sourced from PubChem (CID 105455554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).