(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C14H24N2O3+2 — CID 7263976

IUPAC(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCOc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1O
InChIInChI=1S/C14H22N2O3/c1-18-13-4-2-3-12(14(13)17)11-15-5-6-16-7-9-19-10-8-16/h2-4,15,17H,5-11H2,1H3/p+2
InChIKeyPMONOYMMBCLONK-UHFFFAOYSA-P
MW268.36 g/mol
LogP-1.62
Rot. Bonds6

About (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 7263976) has the molecular formula C14H24N2O3+2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID7263976
Molecular FormulaC14H24N2O3+2
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCOc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1O
InChIInChI=1S/C14H22N2O3/c1-18-13-4-2-3-12(14(13)17)11-15-5-6-16-7-9-19-10-8-16/h2-4,15,17H,5-11H2,1H3/p+2
InChIKeyPMONOYMMBCLONK-UHFFFAOYSA-P
XLogP-1.62
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride
CID 44666038
[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7458363
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818063
(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7248498
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
1-[(2,3-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide
CID 6966263
2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol
CID 7444846
(2-bromo-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 2215032
ethane;2-methoxy-6-propylphenol
CID 142869062
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
CID 82986122
2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 71598518

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 7263976) is (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium is COc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1O.
What is the InChIKey of (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is PMONOYMMBCLONK-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H22N2O3/c1-18-13-4-2-3-12(14(13)17)11-15-5-6-16-7-9-19-10-8-16/h2-4,15,17H,5-11H2,1H3/p+2.
What are the key properties of (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 268.36 g/mol, XLogP of -1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 7263976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).