2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol

C13H15N3O2 — CID 69341790

IUPAC2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(NCc2ccc(N)c(O)c2)cn1
InChIInChI=1S/C13H15N3O2/c1-18-13-5-3-10(8-16-13)15-7-9-2-4-11(14)12(17)6-9/h2-6,8,15,17H,7,14H2,1H3
InChIKeyQZRUZLMOZXPDRK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol

2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol (PubChem CID 69341790) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
PubChem CID69341790
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(NCc2ccc(N)c(O)c2)cn1
InChIInChI=1S/C13H15N3O2/c1-18-13-5-3-10(8-16-13)15-7-9-2-4-11(14)12(17)6-9/h2-6,8,15,17H,7,14H2,1H3
InChIKeyQZRUZLMOZXPDRK-UHFFFAOYSA-N
XLogP1.99
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
CID 69341732
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol (CID 69341790) is 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol is COc1ccc(NCc2ccc(N)c(O)c2)cn1.
What is the InChIKey of 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol?
The InChIKey is QZRUZLMOZXPDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13-5-3-10(8-16-13)15-7-9-2-4-11(14)12(17)6-9/h2-6,8,15,17H,7,14H2,1H3.
What are the key properties of 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol?
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 69341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).