1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol

C16H21N3O2 — CID 163420180

IUPAC1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol
SMILESCc1ccc(Oc2ccc(N)c(NCC(C)(C)O)c2)nc1
InChIInChI=1S/C16H21N3O2/c1-11-4-7-15(18-9-11)21-12-5-6-13(17)14(8-12)19-10-16(2,3)20/h4-9,19-20H,10,17H2,1-3H3
InChIKeyAHUKRJCOXGFJLU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol

1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol (PubChem CID 163420180) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol
PubChem CID163420180
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol
SMILESCc1ccc(Oc2ccc(N)c(NCC(C)(C)O)c2)nc1
InChIInChI=1S/C16H21N3O2/c1-11-4-7-15(18-9-11)21-12-5-6-13(17)14(8-12)19-10-16(2,3)20/h4-9,19-20H,10,17H2,1-3H3
InChIKeyAHUKRJCOXGFJLU-UHFFFAOYSA-N
XLogP2.95
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346
3-(2-hydroxy-2-methylpropyl)benzimidazol-5-ol;2-methyl-1-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propan-2-ol
CID 160753459
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol
CID 129041291
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
5-[(5-methyl-2-pyridinyl)oxy]pyrimidine
CID 123816421
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
8-[(5-methyl-2-pyridinyl)oxy]quinolin-5-amine
CID 60864239

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol (CID 163420180) is 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol is Cc1ccc(Oc2ccc(N)c(NCC(C)(C)O)c2)nc1.
What is the InChIKey of 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol?
The InChIKey is AHUKRJCOXGFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-7-15(18-9-11)21-12-5-6-13(17)14(8-12)19-10-16(2,3)20/h4-9,19-20H,10,17H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol?
1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(5-methyl-2-pyridinyl)oxy]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 163420180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).