4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine

C22H25NO2 — CID 118384322

IUPAC4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
SMILESCC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C22H25NO2/c1-19(7-8-20-5-3-2-4-6-20)21-9-11-22(12-10-21)25-18-15-23-13-16-24-17-14-23/h2-6,9-12,19H,13-18H2,1H3
InChIKeyKXLVHIGXGZODIL-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.55
Rot. Bonds5

About 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine

4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine (PubChem CID 118384322) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
PubChem CID118384322
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
SMILESCC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C22H25NO2/c1-19(7-8-20-5-3-2-4-6-20)21-9-11-22(12-10-21)25-18-15-23-13-16-24-17-14-23/h2-6,9-12,19H,13-18H2,1H3
InChIKeyKXLVHIGXGZODIL-UHFFFAOYSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]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

1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine
CID 118384318
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine (CID 118384322) is 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine is CC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is KXLVHIGXGZODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-19(7-8-20-5-3-2-4-6-20)21-9-11-22(12-10-21)25-18-15-23-13-16-24-17-14-23/h2-6,9-12,19H,13-18H2,1H3.
What are the key properties of 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 335.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 118384322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).