ethane;4-[2-(2-methylphenoxy)ethyl]morpholine

C17H31NO2 — CID 144752549

IUPACethane;4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCC.CC.Cc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H19NO2.2C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;2*1-2/h2-5H,6-11H2,1H3;2*1-2H3
InChIKeyYMRJFCYQINDWMD-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.76
Rot. Bonds4

About ethane;4-[2-(2-methylphenoxy)ethyl]morpholine

ethane;4-[2-(2-methylphenoxy)ethyl]morpholine (PubChem CID 144752549) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;4-[2-(2-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-(2-methylphenoxy)ethyl]morpholine
PubChem CID144752549
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethane;4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCC.CC.Cc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H19NO2.2C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;2*1-2/h2-5H,6-11H2,1H3;2*1-2H3
InChIKeyYMRJFCYQINDWMD-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75386741

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(2-methylphenoxy)ethyl]morpholine?
The IUPAC name of ethane;4-[2-(2-methylphenoxy)ethyl]morpholine (CID 144752549) is ethane;4-[2-(2-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for ethane;4-[2-(2-methylphenoxy)ethyl]morpholine?
The canonical SMILES for ethane;4-[2-(2-methylphenoxy)ethyl]morpholine is CC.CC.Cc1ccccc1OCCN1CCOCC1.
What is the InChIKey of ethane;4-[2-(2-methylphenoxy)ethyl]morpholine?
The InChIKey is YMRJFCYQINDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.2C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;2*1-2/h2-5H,6-11H2,1H3;2*1-2H3.
What are the key properties of ethane;4-[2-(2-methylphenoxy)ethyl]morpholine?
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine has a molecular weight of 281.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(2-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 144752549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).