2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol

C13H14N2O — CID 135755462

IUPAC2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
SMILESCc1cc(-c2ccc(O)c(N)c2)cc(C)n1
InChIInChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-13(16)12(14)7-10/h3-7,16H,14H2,1-2H3
InChIKeyMZIRCUOERTUJKX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds1

About 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol

2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol (PubChem CID 135755462) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol.

Molecular Properties

Compound Name2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
PubChem CID135755462
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
SMILESCc1cc(-c2ccc(O)c(N)c2)cc(C)n1
InChIInChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-13(16)12(14)7-10/h3-7,16H,14H2,1-2H3
InChIKeyMZIRCUOERTUJKX-UHFFFAOYSA-N
XLogP2.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dimethyl-4-pyridinyl)phenol
CID 20564343
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
CID 115017751
2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane
CID 134204994
2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 136872415
2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037204
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol?
The IUPAC name of 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol (CID 135755462) is 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol.
What is the SMILES notation for 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol?
The canonical SMILES for 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol is Cc1cc(-c2ccc(O)c(N)c2)cc(C)n1.
What is the InChIKey of 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol?
The InChIKey is MZIRCUOERTUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-5-11(6-9(2)15-8)10-3-4-13(16)12(14)7-10/h3-7,16H,14H2,1-2H3.
What are the key properties of 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol?
2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol is sourced from PubChem (CID 135755462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).