4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine

C16H25NO2 — CID 3386987

IUPAC4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)C
InChIInChI=1S/C16H25NO2/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17/h4-5,12-13H,6-11H2,1-3H3
InChIKeyNKLPZSOJZWIMHK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine (PubChem CID 3386987) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
PubChem CID3386987
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)C
InChIInChI=1S/C16H25NO2/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17/h4-5,12-13H,6-11H2,1-3H3
InChIKeyNKLPZSOJZWIMHK-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine (CID 3386987) is 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1C(C)C.
What is the InChIKey of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The InChIKey is NKLPZSOJZWIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine?
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine is sourced from PubChem (CID 3386987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).