2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol

C17H20N2O3 — CID 89099484

IUPAC2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol
SMILESC=C(CNCCO)COc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-14(12-18-10-11-20)13-21-16-8-5-9-19-17(16)22-15-6-3-2-4-7-15/h2-9,18,20H,1,10-13H2
InChIKeySRFFBLGPJPIXIO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds9

About 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol

2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol (PubChem CID 89099484) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol
PubChem CID89099484
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol
SMILESC=C(CNCCO)COc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-14(12-18-10-11-20)13-21-16-8-5-9-19-17(16)22-15-6-3-2-4-7-15/h2-9,18,20H,1,10-13H2
InChIKeySRFFBLGPJPIXIO-UHFFFAOYSA-N
XLogP2.39
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066692
N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine
CID 103074948
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
[4-[(3-methoxy-2-pyridinyl)oxy]phenyl]methanol
CID 113371155
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
3-[(3-ethoxy-2-pyridinyl)oxy]phenol
CID 113371152
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
2-phenoxypyridine-3-sulfonyl chloride
CID 112572899
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol (CID 89099484) is 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol is C=C(CNCCO)COc1cccnc1Oc1ccccc1.
What is the InChIKey of 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol?
The InChIKey is SRFFBLGPJPIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-14(12-18-10-11-20)13-21-16-8-5-9-19-17(16)22-15-6-3-2-4-7-15/h2-9,18,20H,1,10-13H2.
What are the key properties of 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol?
2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol has a molecular weight of 300.36 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenoxy-3-pyridinyl)oxymethyl]prop-2-enylamino]ethanol is sourced from PubChem (CID 89099484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).