4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine

C18H29NO2 — CID 71106404

IUPAC4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
SMILESCCc1ccc(C(C)(C)C)c(OCCN2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-5-15-6-7-16(18(2,3)4)17(14-15)21-13-10-19-8-11-20-12-9-19/h6-7,14H,5,8-13H2,1-4H3
InChIKeyHBIWVJNSIQUINT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.26
Rot. Bonds5

About 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine

4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine (PubChem CID 71106404) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
PubChem CID71106404
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
SMILESCCc1ccc(C(C)(C)C)c(OCCN2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-5-15-6-7-16(18(2,3)4)17(14-15)21-13-10-19-8-11-20-12-9-19/h6-7,14H,5,8-13H2,1-4H3
InChIKeyHBIWVJNSIQUINT-UHFFFAOYSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 129254356
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine (CID 71106404) is 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine is CCc1ccc(C(C)(C)C)c(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine?
The InChIKey is HBIWVJNSIQUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-15-6-7-16(18(2,3)4)17(14-15)21-13-10-19-8-11-20-12-9-19/h6-7,14H,5,8-13H2,1-4H3.
What are the key properties of 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine?
4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine is sourced from PubChem (CID 71106404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).