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

C15H26N3O3+ — CID 89444394

IUPAC4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol
SMILESC[N+]1(CCOCCNc2cc(O)ccc2N)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-18(6-10-21-11-7-18)5-9-20-8-4-17-15-12-13(19)2-3-14(15)16/h2-3,12,17H,4-11,16H2,1H3/p+1
InChIKeyXWHYXVBIPHEBRP-UHFFFAOYSA-O
MW296.39 g/mol
LogP0.88
Rot. Bonds7

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

4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol (PubChem CID 89444394) has the molecular formula C15H26N3O3+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol.

Molecular Properties

Compound Name4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol
PubChem CID89444394
Molecular FormulaC15H26N3O3+
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol
SMILESC[N+]1(CCOCCNc2cc(O)ccc2N)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-18(6-10-21-11-7-18)5-9-20-8-4-17-15-12-13(19)2-3-14(15)16/h2-3,12,17H,4-11,16H2,1H3/p+1
InChIKeyXWHYXVBIPHEBRP-UHFFFAOYSA-O
XLogP0.88
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol 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-amino-3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenol
CID 89444334
4-amino-3-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]ethylamino]phenol
CID 89444703
3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium
CID 89444163
4-amino-3-[2-(dimethylamino)ethylamino]phenol
CID 118147492
4-amino-3-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenol
CID 89444177
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899
bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
CID 21119534
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
ethyl 4-amino-3-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoate
CID 82777038
ethyl 4-amino-3-[2-(2-amino-2-oxoethoxy)ethylamino]benzoate
CID 106240841
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol?
The IUPAC name of 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol (CID 89444394) is 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol.
What is the SMILES notation for 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol?
The canonical SMILES for 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol is C[N+]1(CCOCCNc2cc(O)ccc2N)CCOCC1.
What is the InChIKey of 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol?
The InChIKey is XWHYXVBIPHEBRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N3O3/c1-18(6-10-21-11-7-18)5-9-20-8-4-17-15-12-13(19)2-3-14(15)16/h2-3,12,17H,4-11,16H2,1H3/p+1.
What are the key properties of 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol?
4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol has a molecular weight of 296.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol is sourced from PubChem (CID 89444394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).