2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol

C14H17N3O2 — CID 22026541

IUPAC2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
SMILESNc1ccc(OCCO)c(NCc2ccccn2)c1
InChIInChI=1S/C14H17N3O2/c15-11-4-5-14(19-8-7-18)13(9-11)17-10-12-3-1-2-6-16-12/h1-6,9,17-18H,7-8,10,15H2
InChIKeyKXKBLMGAQSXXAC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol

2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol (PubChem CID 22026541) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
PubChem CID22026541
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
SMILESNc1ccc(OCCO)c(NCc2ccccn2)c1
InChIInChI=1S/C14H17N3O2/c15-11-4-5-14(19-8-7-18)13(9-11)17-10-12-3-1-2-6-16-12/h1-6,9,17-18H,7-8,10,15H2
InChIKeyKXKBLMGAQSXXAC-UHFFFAOYSA-N
XLogP1.65
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol?
The IUPAC name of 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol (CID 22026541) is 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol?
The canonical SMILES for 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol is Nc1ccc(OCCO)c(NCc2ccccn2)c1.
What is the InChIKey of 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol?
The InChIKey is KXKBLMGAQSXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-4-5-14(19-8-7-18)13(9-11)17-10-12-3-1-2-6-16-12/h1-6,9,17-18H,7-8,10,15H2.
What are the key properties of 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol?
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol is sourced from PubChem (CID 22026541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).