ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine

C30H55NO3 — CID 143832588

IUPACethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCC.CC.CC.CC.COc1ccc(C)c(C)c1.Cc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H19NO2.C9H12O.4C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;1-7-4-5-9(10-3)6-8(7)2;4*1-2/h2-5H,6-11H2,1H3;4-6H,1-3H3;4*1-2H3
InChIKeyQCRFLBCDVSZELX-UHFFFAOYSA-N
MW477.77 g/mol
LogP8.12
Rot. Bonds5

About ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine

ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine (PubChem CID 143832588) has the molecular formula C30H55NO3 and a molecular weight of 477.77 g/mol. Its IUPAC name is ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Nameethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
PubChem CID143832588
Molecular FormulaC30H55NO3
Molecular Weight477.77 g/mol
Exact Mass477.42
IUPAC Nameethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCC.CC.CC.CC.COc1ccc(C)c(C)c1.Cc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H19NO2.C9H12O.4C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;1-7-4-5-9(10-3)6-8(7)2;4*1-2/h2-5H,6-11H2,1H3;4-6H,1-3H3;4*1-2H3
InChIKeyQCRFLBCDVSZELX-UHFFFAOYSA-N
XLogP8.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.77
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine?
The IUPAC name of ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine (CID 143832588) is ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine?
The canonical SMILES for ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine is CC.CC.CC.CC.COc1ccc(C)c(C)c1.Cc1ccccc1OCCN1CCOCC1.
What is the InChIKey of ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine?
The InChIKey is QCRFLBCDVSZELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C9H12O.4C2H6/c1-12-4-2-3-5-13(12)16-11-8-14-6-9-15-10-7-14;1-7-4-5-9(10-3)6-8(7)2;4*1-2/h2-5H,6-11H2,1H3;4-6H,1-3H3;4*1-2H3.
What are the key properties of ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine?
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine has a molecular weight of 477.77 g/mol, XLogP of 8.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 143832588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).