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

C14H15NO4 — CID 154092442

IUPAC4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C14H15NO4/c16-11-3-1-9(13(18)5-11)7-15-8-10-2-4-12(17)6-14(10)19/h1-6,15-19H,7-8H2
InChIKeyJPQVCWVNERVGEH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.80
Rot. Bonds4

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

4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol (PubChem CID 154092442) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
PubChem CID154092442
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C14H15NO4/c16-11-3-1-9(13(18)5-11)7-15-8-10-2-4-12(17)6-14(10)19/h1-6,15-19H,7-8H2
InChIKeyJPQVCWVNERVGEH-UHFFFAOYSA-N
XLogP1.80
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
4-[(pyridin-4-ylmethylamino)methyl]benzene-1,3-diol
CID 28669626
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
4-[[(4-bromothiophen-2-yl)methylamino]methyl]benzene-1,3-diol
CID 63378742
4-[(4,4,4-trifluorobutylamino)methyl]benzene-1,3-diol
CID 79039995
4-[(2,3-dihydroxypropylamino)methyl]benzene-1,3-diol
CID 66176106
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
3-[(2,4-dihydroxyphenyl)methylamino]propanamide
CID 43553298
4-[[(1-methylcyclopropyl)methylamino]methyl]benzene-1,3-diol
CID 103724419
4-[(5,5,5-trifluoropentylamino)methyl]benzene-1,3-diol
CID 113321749

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol (CID 154092442) is 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol is Oc1ccc(CNCc2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is JPQVCWVNERVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-3-1-9(13(18)5-11)7-15-8-10-2-4-12(17)6-14(10)19/h1-6,15-19H,7-8H2.
What are the key properties of 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol?
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 261.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 154092442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).