2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile

C13H16N2O2 — CID 43721253

IUPAC2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C13H16N2O2/c14-5-7-17-13-3-1-2-12(8-13)15-9-11-4-6-16-10-11/h1-3,8,11,15H,4,6-7,9-10H2
InChIKeyOMZOTGNAFCNGOK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.04
Rot. Bonds5

About 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile

2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile (PubChem CID 43721253) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
PubChem CID43721253
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C13H16N2O2/c14-5-7-17-13-3-1-2-12(8-13)15-9-11-4-6-16-10-11/h1-3,8,11,15H,4,6-7,9-10H2
InChIKeyOMZOTGNAFCNGOK-UHFFFAOYSA-N
XLogP2.04
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
CID 54864333
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
2-[3-(thian-3-ylmethylamino)phenoxy]acetonitrile
CID 114282790
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
3-ethylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887989
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
CID 70938968
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile?
The IUPAC name of 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile (CID 43721253) is 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile?
The canonical SMILES for 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile is N#CCOc1cccc(NCC2CCOC2)c1.
What is the InChIKey of 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile?
The InChIKey is OMZOTGNAFCNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-5-7-17-13-3-1-2-12(8-13)15-9-11-4-6-16-10-11/h1-3,8,11,15H,4,6-7,9-10H2.
What are the key properties of 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile?
2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile has a molecular weight of 232.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile is sourced from PubChem (CID 43721253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).