7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane

C15H21NO3 — CID 75386741

IUPAC7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCc1ccccc1OCCN1CCC2(C1)OCCO2
InChIInChI=1S/C15H21NO3/c1-13-4-2-3-5-14(13)17-9-8-16-7-6-15(12-16)18-10-11-19-15/h2-5H,6-12H2,1H3
InChIKeyHKTYHVOSQKBISQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds4

About 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 75386741) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID75386741
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCc1ccccc1OCCN1CCC2(C1)OCCO2
InChIInChI=1S/C15H21NO3/c1-13-4-2-3-5-14(13)17-9-8-16-7-6-15(12-16)18-10-11-19-15/h2-5H,6-12H2,1H3
InChIKeyHKTYHVOSQKBISQ-UHFFFAOYSA-N
XLogP1.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane
CID 136560998
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148363
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86793837
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 75386741) is 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane is Cc1ccccc1OCCN1CCC2(C1)OCCO2.
What is the InChIKey of 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is HKTYHVOSQKBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13-4-2-3-5-14(13)17-9-8-16-7-6-15(12-16)18-10-11-19-15/h2-5H,6-12H2,1H3.
What are the key properties of 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 263.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 75386741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).