2-[(6-amino-3-pyridinyl)methylamino]phenol

C12H13N3O — CID 105468626

IUPAC2-[(6-amino-3-pyridinyl)methylamino]phenol
SMILESNc1ccc(CNc2ccccc2O)cn1
InChIInChI=1S/C12H13N3O/c13-12-6-5-9(8-15-12)7-14-10-3-1-2-4-11(10)16/h1-6,8,14,16H,7H2,(H2,13,15)
InChIKeyIMVALZHFLKOQFY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds3

About 2-[(6-amino-3-pyridinyl)methylamino]phenol

2-[(6-amino-3-pyridinyl)methylamino]phenol (PubChem CID 105468626) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)methylamino]phenol.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)methylamino]phenol
PubChem CID105468626
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[(6-amino-3-pyridinyl)methylamino]phenol
SMILESNc1ccc(CNc2ccccc2O)cn1
InChIInChI=1S/C12H13N3O/c13-12-6-5-9(8-15-12)7-14-10-3-1-2-4-11(10)16/h1-6,8,14,16H,7H2,(H2,13,15)
InChIKeyIMVALZHFLKOQFY-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(6-amino-3-pyridinyl)methylamino]phenyl]ethanol
CID 166287393
2-[(2-amino-4-pyridinyl)methylamino]phenol
CID 105468629
2-[(5-amino-3-pyridinyl)methylamino]phenol
CID 105468623
2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol
CID 115029561
N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143441491
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
5-[3-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propyl]pyridin-2-amine
CID 146148338
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)methylamino]phenol?
The IUPAC name of 2-[(6-amino-3-pyridinyl)methylamino]phenol (CID 105468626) is 2-[(6-amino-3-pyridinyl)methylamino]phenol.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)methylamino]phenol?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)methylamino]phenol is Nc1ccc(CNc2ccccc2O)cn1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)methylamino]phenol?
The InChIKey is IMVALZHFLKOQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-6-5-9(8-15-12)7-14-10-3-1-2-4-11(10)16/h1-6,8,14,16H,7H2,(H2,13,15).
What are the key properties of 2-[(6-amino-3-pyridinyl)methylamino]phenol?
2-[(6-amino-3-pyridinyl)methylamino]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)methylamino]phenol is sourced from PubChem (CID 105468626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).