4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol

C13H21N2O3+ — CID 89444334

IUPAC4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol
SMILESC[N+]1(CCOc2cc(O)ccc2N)CCOCC1
InChIInChI=1S/C13H20N2O3/c1-15(4-7-17-8-5-15)6-9-18-13-10-11(16)2-3-12(13)14/h2-3,10H,4-9,14H2,1H3/p+1
InChIKeyQUCFGXFBHZVXRT-UHFFFAOYSA-O
MW253.32 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol

4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol (PubChem CID 89444334) has the molecular formula C13H21N2O3+ and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol
PubChem CID89444334
Molecular FormulaC13H21N2O3+
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol
SMILESC[N+]1(CCOc2cc(O)ccc2N)CCOCC1
InChIInChI=1S/C13H20N2O3/c1-15(4-7-17-8-5-15)6-9-18-13-10-11(16)2-3-12(13)14/h2-3,10H,4-9,14H2,1H3/p+1
InChIKeyQUCFGXFBHZVXRT-UHFFFAOYSA-O
XLogP0.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenol
CID 89444177
4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol
CID 89444394
4-amino-3-(2-fluoroethoxy)phenol
CID 154926712
[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
CID 106296921
1-N-methyl-1-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]benzene-1,2,4-triamine
CID 90022352
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
CID 159595440
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
CID 82037237
trimethyl-[3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]-3-oxopropyl]azanium
CID 3029482
5-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]pentyl 3-(4-methylmorpholin-4-ium-4-yl)propanoate
CID 10484596
2-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethoxy]benzene-1,4-diamine;chloride;dihydrochloride
CID 140675039

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol?
The IUPAC name of 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol (CID 89444334) is 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol.
What is the SMILES notation for 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol?
The canonical SMILES for 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol is C[N+]1(CCOc2cc(O)ccc2N)CCOCC1.
What is the InChIKey of 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol?
The InChIKey is QUCFGXFBHZVXRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O3/c1-15(4-7-17-8-5-15)6-9-18-13-10-11(16)2-3-12(13)14/h2-3,10H,4-9,14H2,1H3/p+1.
What are the key properties of 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol?
4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol has a molecular weight of 253.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol is sourced from PubChem (CID 89444334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).