4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol

C13H20N2O3 — CID 78943189

IUPAC4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
SMILESCN1CCOC(CNCc2ccc(O)cc2O)C1
InChIInChI=1S/C13H20N2O3/c1-15-4-5-18-12(9-15)8-14-7-10-2-3-11(16)6-13(10)17/h2-3,6,12,14,16-17H,4-5,7-9H2,1H3
InChIKeyTUIIBXMFLNMPJT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.52
Rot. Bonds4

About 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol

4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol (PubChem CID 78943189) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
PubChem CID78943189
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
SMILESCN1CCOC(CNCc2ccc(O)cc2O)C1
InChIInChI=1S/C13H20N2O3/c1-15-4-5-18-12(9-15)8-14-7-10-2-3-11(16)6-13(10)17/h2-3,6,12,14,16-17H,4-5,7-9H2,1H3
InChIKeyTUIIBXMFLNMPJT-UHFFFAOYSA-N
XLogP0.52
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
4-[(1,4-dioxan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 54907352
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
CID 79083227
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol (CID 78943189) is 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol is CN1CCOC(CNCc2ccc(O)cc2O)C1.
What is the InChIKey of 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is TUIIBXMFLNMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-4-5-18-12(9-15)8-14-7-10-2-3-11(16)6-13(10)17/h2-3,6,12,14,16-17H,4-5,7-9H2,1H3.
What are the key properties of 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol?
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 252.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 78943189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).