2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile

C15H20N2O3 — CID 63363298

IUPAC2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNC1CCCOC1
InChIInChI=1S/C15H20N2O3/c16-8-12-4-1-2-6-15(12)20-11-14(18)9-17-13-5-3-7-19-10-13/h1-2,4,6,13-14,17-18H,3,5,7,9-11H2
InChIKeyDMOZMYDFKNUGCJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile

2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile (PubChem CID 63363298) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile
PubChem CID63363298
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNC1CCCOC1
InChIInChI=1S/C15H20N2O3/c16-8-12-4-1-2-6-15(12)20-11-14(18)9-17-13-5-3-7-19-10-13/h1-2,4,6,13-14,17-18H,3,5,7,9-11H2
InChIKeyDMOZMYDFKNUGCJ-UHFFFAOYSA-N
XLogP1.07
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
2-[2-hydroxy-3-(thiolan-3-ylamino)propoxy]benzonitrile
CID 103062924
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
2-[2-hydroxy-3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611126
2-[2-hydroxy-3-(oxiran-2-ylmethoxy)propoxy]benzonitrile
CID 156510989
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938677
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile?
The IUPAC name of 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile (CID 63363298) is 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile.
What is the SMILES notation for 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile?
The canonical SMILES for 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile is N#Cc1ccccc1OCC(O)CNC1CCCOC1.
What is the InChIKey of 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile?
The InChIKey is DMOZMYDFKNUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-8-12-4-1-2-6-15(12)20-11-14(18)9-17-13-5-3-7-19-10-13/h1-2,4,6,13-14,17-18H,3,5,7,9-11H2.
What are the key properties of 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile?
2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile has a molecular weight of 276.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile is sourced from PubChem (CID 63363298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).