4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium

C16H26NO2+ — CID 7381404

IUPAC4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
SMILESCC[C@@H](C)c1ccccc1OCC[NH+]1CCOCC1
InChIInChI=1S/C16H25NO2/c1-3-14(2)15-6-4-5-7-16(15)19-13-10-17-8-11-18-12-9-17/h4-7,14H,3,8-13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyHHOISOKLISQTPL-CQSZACIVSA-O
MW264.39 g/mol
LogP1.49
Rot. Bonds6

About 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium

4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium (PubChem CID 7381404) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
PubChem CID7381404
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
SMILESCC[C@@H](C)c1ccccc1OCC[NH+]1CCOCC1
InChIInChI=1S/C16H25NO2/c1-3-14(2)15-6-4-5-7-16(15)19-13-10-17-8-11-18-12-9-17/h4-7,14H,3,8-13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyHHOISOKLISQTPL-CQSZACIVSA-O
XLogP1.49
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium 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-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]-4-ethylpiperazine-1,4-diium
CID 2216199
1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726
1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194728
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413497
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium (CID 7381404) is 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium is CC[C@@H](C)c1ccccc1OCC[NH+]1CCOCC1.
What is the InChIKey of 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium?
The InChIKey is HHOISOKLISQTPL-CQSZACIVSA-O. The full InChI is InChI=1S/C16H25NO2/c1-3-14(2)15-6-4-5-7-16(15)19-13-10-17-8-11-18-12-9-17/h4-7,14H,3,8-13H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium?
4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium has a molecular weight of 264.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium is sourced from PubChem (CID 7381404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).