2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol

C16H20N2O3 — CID 43751475

IUPAC2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
SMILESCOc1ccc(NC(C)c2ccccn2)cc1OCCO
InChIInChI=1S/C16H20N2O3/c1-12(14-5-3-4-8-17-14)18-13-6-7-15(20-2)16(11-13)21-10-9-19/h3-8,11-12,18-19H,9-10H2,1-2H3
InChIKeyVSTVJNYZOPEIGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol

2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol (PubChem CID 43751475) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
PubChem CID43751475
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
SMILESCOc1ccc(NC(C)c2ccccn2)cc1OCCO
InChIInChI=1S/C16H20N2O3/c1-12(14-5-3-4-8-17-14)18-13-6-7-15(20-2)16(11-13)21-10-9-19/h3-8,11-12,18-19H,9-10H2,1-2H3
InChIKeyVSTVJNYZOPEIGL-UHFFFAOYSA-N
XLogP2.63
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
CID 43792374
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol (CID 43751475) is 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol is COc1ccc(NC(C)c2ccccn2)cc1OCCO.
What is the InChIKey of 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol?
The InChIKey is VSTVJNYZOPEIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(14-5-3-4-8-17-14)18-13-6-7-15(20-2)16(11-13)21-10-9-19/h3-8,11-12,18-19H,9-10H2,1-2H3.
What are the key properties of 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol?
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol has a molecular weight of 288.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol is sourced from PubChem (CID 43751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).