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

C14H15NO3 — CID 114331529

IUPAC3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
SMILESOc1ccccc1CNCc1cccc(O)c1O
InChIInChI=1S/C14H15NO3/c16-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(17)14(11)18/h1-7,15-18H,8-9H2
InChIKeyMIMDUJXOYWVEHB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.09
Rot. Bonds4

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

3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol (PubChem CID 114331529) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
PubChem CID114331529
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
SMILESOc1ccccc1CNCc1cccc(O)c1O
InChIInChI=1S/C14H15NO3/c16-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(17)14(11)18/h1-7,15-18H,8-9H2
InChIKeyMIMDUJXOYWVEHB-UHFFFAOYSA-N
XLogP2.09
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
2-(ethylaminomethyl)phenol
CID 12995218
2-[(benzylamino)methyl]phenol chloride
CID 53350489
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzene-1,2-diol
CID 62054003
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
3-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2-diol
CID 61318092
3-[(1H-imidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 64548372
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzene-1,2-diol
CID 106173037
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol (CID 114331529) is 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol is Oc1ccccc1CNCc1cccc(O)c1O.
What is the InChIKey of 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol?
The InChIKey is MIMDUJXOYWVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(17)14(11)18/h1-7,15-18H,8-9H2.
What are the key properties of 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol?
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol has a molecular weight of 245.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 114331529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).